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Isoamyl phenylacetate, also known as isopentyl phenylacetate or isoamyl phenyl acetate, is a chemical compound with the molecular formula C12H16O2.
Isoamyl phenylacetate is one of the volatile compounds found in apple pomace.
Isoamyl phenylacetate is often used in the fragrance and flavor industry due to its pleasant, fruity, and sweet aroma.
CAS Number: 102-19-2
EC Number: 203-012-6
Molecular Formula: C13H18O2
Molecular Weight: 206.28
Synonyms: Isoamyl phenylacetate, 102-19-2, Isopentyl phenylacetate, Isopentyl 2-phenylacetate, Benzeneacetic acid, 3-methylbutyl ester, 3-Methylbutyl phenylacetate, 3-methylbutyl 2-phenylacetate, Phenylacetic acid isoamyl ester, Phenylacetic acid, isopentyl ester, Isopentylphenylacetate, Isoamyl alpha-toluate, ACETIC ACID, PHENYL-, ISOPENTYL ESTER, 3-Methylbutyl benzeneacetate, FEMA No. 2081, NSC 60582, Isopentyl alcohol, phenylacetate, E5RHQ50DDC, NSC-60582, Phenylacetic acid, 3-methylbutyl ester, isoamyl phenyl acetate, EINECS 203-012-6, UNII-E5RHQ50DDC, BRN 1951778, AI3-36555, iso-Amyl phenylacetate, SCHEMBL996081, WLN: 1Y12OV1R, DTXSID2044501, FEMA 2081, CHEBI:191542, QWBQBUWZZBUFHN-UHFFFAOYSA-N, NSC60582, ISOAMYL PHENYLACETATE [FHFI], ISOAMYL PHENYL ACETATE [FCC], MFCD00026517, phenylacetic acid 3-methylbutyl ester, AKOS015890643, AS-75676, FT-0653077, P0123, D91902, W-108882, Q27276901, InChI=1/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H.
Isoamyl phenylacetate has a sweet, pleasant odor reminiscent of cocoa with a slight birch-tar undertone.
May be prepared by esterification of phenylacetic acid with isoamyl alcohol in the presence of concentrated sulfuric acid; by heating benzyl nitrile and isoamyl alcohol in the presence of excess concentrated H2S04.
Isoamyl phenylacetate provides a fruity, banana-like scent with floral undertones.
Isoamyl phenylacetate belongs to the ester group of compounds and is derived from the reaction between isoamyl alcohol (also known as isopentyl alcohol) and phenylacetic acid.
Isoamyl phenylacetate, a phenethyl alcohol derivative, is commonly used as a flavor additive in tobacco.
Isoamyl phenylacetate is one of the volatile compounds found in apple pomace.
Isoamyl phenylacetate belongs to the class of organic compounds known as benzene and substituted derivatives.
These are aromatic compounds containing one monocyclic ring system consisting of benzene.
The structure of Isoamyl phenylacetate consists of an isoamyl group (an isomer of amyl group) and a phenylacetate group.
The isoamyl group is a five-carbon chain with a branching structure, and the phenylacetate group consists of a phenyl ring (an aromatic ring) attached to an acetate moiety.
Isoamyl phenylacetate has a sweet, pleasant odor reminiscent of cocoa with a slight birch-tar undertone.
May be prepared by esterification of phenylacetic acid with isoamyl alcohol in the presence of concentrated sulfuric acid; by heating benzyl nitrile and isoamyl alcohol in the presence of excess concentrated H2S04.
Isoamyl phenylacetate, a phenethyl alcohol derivative, is commonly used as a flavor additive in tobacco.
As a result, isoamyl phenylacetate is utilized in the formulation of perfumes, colognes, and various scented products.
Additionally, Isoamyl phenylacetate may be employed as a flavoring agent in the food industry, contributing to the aroma of certain food products.
Isoamyl phenylacetate has a sweet, pleasant odor reminiscent of cocoa with a slight birch-tar undertone
Isoamyl phenylacetate belongs to the class of organic compounds known as benzene and substituted derivatives.
These are aromatic compounds containing one monocyclic ring system consisting of benzene.
Isoamyl phenylacetate is a sweet, animal, and balsam tasting compound.
3-Methylbutyl phenylacetate is found, on average, in the highest concentration within peppermints (Mentha X piperita).
This could make Isoamyl phenylacetate a potential biomarker for the consumption of these foods.
Based on a literature review very few articles have been published on 3-Methylbutyl phenylacetate.
Isoamyl phenylacetate has a sweet, pleasant odor reminiscent of cocoa with a slight birch-tar undertone
Isoamyl phenylacetate is a chemical compound commonly used in the fragrance and flavor industry.
Isoamyl phenylacetate has a sweet, fruity, and floral aroma that resembles ripe bananas or pears.
Isoamyl phenylacetate is often used as an ingredient in perfumes, soaps, lotions, and other personal care products.
Isoamyl phenylacetate can also be utilized as a food additive to enhance the flavor of various food and beverage products.
Safety precautions should be taken when handling this compound, including the use of gloves and eye protection.
Isoamyl phenylacetate should be stored in a cool, well-ventilated area away from sources of ignition or heat.
Isoamyl phenylacetate is not directly found in large quantities in natural sources, some related compounds with similar aromatic characteristics are present in certain fruits.
These compounds contribute to the characteristic aroma of fruits and are often used as inspiration in the creation of synthetic fragrances.
The isoamyl group, also known as isopentyl group, is a branched alkyl group containing five carbon atoms.
The branching structure of this group contributes to the distinctive properties of isoamyl phenylacetate.
Isoamyl phenylacetate can be found in various cosmetic and personal care products, including lotions, creams, and hair care items, to add a pleasant and fruity scent to the products.
Perfumers often use Isoamyl phenylacetate in combination with other aroma compounds to create unique and complex fragrance profiles.
Isoamyl phenylacetate's fruity and floral notes make it a versatile ingredient in fragrance blends.
Fragrances, including those containing Isoamyl phenylacetate, can have a psychological impact on mood.
Fruity and floral scents are often associated with feelings of freshness and positivity, contributing to the overall sensory experience.
Isoamyl phenylacetate is commonly used in a variety of consumer products, including air fresheners, fabric softeners, and scented candles, to enhance the aroma and create a pleasant environment.
The use of Isoamyl phenylacetate in consumer products is subject to regulations and guidelines established by regulatory bodies such as the International Fragrance Association (IFRA) to ensure safety and proper usage levels.
Trade and Commercial Availability: Isoamyl phenylacetate is commercially available from suppliers specializing in fragrance and flavor ingredients.
Isoamyl phenylacetate is traded as a raw material for use in various industries.
Formulators need to consider the compatibility of Isoamyl phenylacetate with other ingredients in their formulations to achieve the desired scent and product stability.
Isoamyl phenylacetate is manufacturing by esterification of phenylacetic acid with isoamyl alcohol in the presence of concentrated sulfuric acid
Isoamyl phenylacetate is manufacturing by heating benzyl nitrile and isoamyl alcohol in the presence of excess concentrated H2SO4
Isoamyl phenylacetate belongs to the class of organic compounds known as benzene and substituted derivatives.
These are aromatic compounds containing one monocyclic ring system consisting of benzene.
Isoamyl phenylacetate is a sweet, animal, and balsam tasting compound.
Isoamyl phenylacetate is found, on average, in the highest concentration within peppermints (Mentha X piperita).
This could make 3-methylbutyl phenylacetate a potential biomarker for the consumption of these foods.
Based on a literature review very few articles have been published on 3-Methylbutyl phenylacetate.
Isoamyl phenylacetate is a colorless to pale yellow, water insoluble liquid with a sweet, cocoa balsam, chocolate aroma.
Isoamyl phenylacetate may be used as a flavoring agent which offers a taste of rosy, honey with phenyl chocolate nuances and dried fruit notes.
Isoamyl phenylacetate is a synthetic product with detergent compositions.
Isoamyl phenylacetate can be used as a polymerization initiator in the production of cellulose derivatives that are soluble in organic solvents.
Isoamyl phenylacetate is an acid complex with the chemical formula C11H14O2, which has a dry weight of 150.6 grams per mole and a molecular weight of 198.27 g/mol.
Isoamyl phenylacetate has been shown to have acidic properties at pH values below 7 and is classified as an acid catalyst for reactions involving diploid compounds.
Structural formulas for this compound have been determined by X-ray crystallography and NMR spectroscopy, and Isoamyl phenylacetate has been observed to be stable under constant temperature conditions.
Isoamyl phenylacetate is a colorless to pale yellow liquid at room temperature.
Isoamyl phenylacetate has a fairly long shelf life and occurs in nature, but the synthetic version is used for use as a fragrance.
Isoamyl phenylacetate is known for its aromatic and fruity fragrance, often described as having a sweet, floral, and fruity character.
The fruity notes are reminiscent of bananas.
Due to its pleasant scent, Isoamyl phenylacetate is commonly used in the perfume and fragrance industry.
Isoamyl phenylacetate is often included in floral and fruity fragrance compositions, contributing to the overall olfactory profile of the final product.
In the food industry, isoamyl phenylacetate may be employed as a flavoring agent to impart a fruity and sweet taste.
However, Isoamyl phenylacetate is use in the food industry is typically limited compared to Isoamyl phenylacetate applications in the fragrance sector.
Isoamyl phenylacetate can be synthesized in the laboratory for commercial purposes, some esters with similar aromatic characteristics are found naturally in certain fruits.
This contributes to Isoamyl phenylacetate use in creating natural or nature-inspired fragrances.
Isoamyl phenylacetate belongs to the ester group of organic compounds.
Esters are commonly known for their pleasant odors and flavors and are often found in essential oils and fruit extracts.
Isoamyl phenylacetate is typically synthesized through the reaction of isoamyl alcohol (isopentyl alcohol) with phenylacetic acid in the presence of an acid catalyst.
This esterification process results in the formation of isoamyl phenylacetate.
Isoamyl phenylacetate is generally insoluble in water but soluble in organic solvents.
This characteristic influences Isoamyl phenylacetate application in various formulations where solubility is a consideration.
The stability of Isoamyl phenylacetate can be influenced by factors such as exposure to light, heat, and air.
Proper storage conditions are essential to maintain the compound's quality and prevent degradation.
Isoamyl phenylacetate's stability in formulations can be influenced by factors such as pH, temperature, and the presence of other ingredients.
Formulators need to consider these factors to ensure the Isoamyl phenylacetate remains stable throughout the product's shelf life.
The sensory threshold of isoamyl phenylacetate—the concentration at which Isoamyl phenylacetate can be detected by the human nose—can vary.
Perfumers and formulators consider these thresholds to determine the optimal concentration for a given application.
In addition to Isoamyl phenylacetate use as a fragrance compound, Isoamyl phenylacetate may be employed in the food industry as a flavor enhancer.
Isoamyl phenylacetate can contribute to the overall flavor profile of certain food products.
Fragrance compounds like isoamyl phenylacetate not only contribute to the actual scent of a product but also influence the overall perception of the product.
The scent can evoke specific emotions or associations, contributing to the overall consumer experience.
Isoamyl phenylacetate might be used in niche or artisanal perfumery, where perfumers often experiment with unique combinations of ingredients to create distinctive and unconventional scents.
While isoamyl phenylacetate is often synthesized in the laboratory, natural extracts containing related compounds with similar aromas can be obtained from certain plants.
However, Isoamyl phenylacetate itself is typically more cost-effective to produce synthetically.
Isoamyl phenylacetate is commonly used as a reference standard in laboratories and educational settings.
Isoamyl phenylacetate is well-defined chemical structure makes Isoamyl phenylacetate a useful compound for analytical and research purposes.
Isoamyl phenylacetate is generally stable and safe under normal handling conditions.
However, as with any chemical, proper precautions should be taken during transport, storage, and handling to prevent spills and ensure workplace safety.
Isoamyl phenylacetate is traded globally as a raw material for fragrance and flavor applications.
Isoamyl phenylacetate is commonly synthesized in the laboratory, Isoamyl phenylacetate can also be found in trace amounts in certain natural sources.
Some plants may contain compounds with similar aromas, and these natural extracts might be used in the fragrance and flavor industry.
Formulating with isoamyl phenylacetate may present challenges, especially in achieving the desired balance of fragrance notes and ensuring compatibility with other ingredients.
Perfumers and formulators often experiment to find optimal combinations.
The choice of packaging materials can influence the stability of isoamyl phenylacetate-containing products.
Perfume bottles, cosmetic containers, or packaging for scented products need to be selected carefully to prevent interactions that could affect the compound's properties.
Isoamyl phenylacetate may exhibit synergistic effects when combined with other esters or fragrance compounds.
Perfumers may leverage these synergies to create more complex and harmonious scent profiles.
In some applications, microencapsulation techniques might be employed to encapsulate isoamyl phenylacetate.
This approach can provide controlled release of the fragrance over time, enhancing the longevity of scented products.
Over time, the scent of products containing isoamyl phenylacetate may evolve due to factors such as oxidation or chemical interactions.
Understanding the aging process and monitoring the shelf life of products is essential for maintaining consistent quality.
Fragrance preferences can vary across cultures and regions.
Companies may adapt formulations containing isoamyl phenylacetate to align with local preferences, taking into account cultural nuances and market demands.
Advances in fragrance delivery systems, encapsulation technologies, or sustainable extraction methods can impact how isoamyl phenylacetate is utilized in formulations.
Staying abreast of emerging technologies is crucial for innovation in the industry.
Ongoing research and development may lead to the discovery of new aroma compounds or more sustainable alternatives.
Companies may explore substitutions for isoamyl phenylacetate based on consumer trends or regulatory considerations.
The fragrance and flavor industry often involves collaboration between different entities, including perfumers, formulators, suppliers, and manufacturers.
Collaboration fosters creativity and innovation in creating new products and scents.
Isoamyl phenylacetate has a strong spicy scent reminiscent of cocoa.
Isoamyl phenylacetate is used in chocolate accords, just adding (enough) vanillin or ethyl vanillin is enough to make a nice chocolate scent.
Also very suitable in sweet animal compositions such as beeswax, honey and civet.
The French perfumer Jean Claude Ellena recognizes chamomile in Isoamyl phenylacetate and indeed there is also a characteristic bitter animal note in it.
Isoamyl phenylacetate is primarily a heart to base note in perfumes and is stable in most products, including soaps and more acidic products.
Isoamyl phenylacetate is typically a racemic mixture, meaning Isoamyl phenylacetate contains equal amounts of both enantiomers (mirror-image isomers).
In certain applications, the specific enantiomeric composition may be relevant, especially in industries like pharmaceuticals where stereochemistry can impact biological activity.
The biodegradability of isoamyl phenylacetate is an important consideration, especially in industries aiming for environmentally friendly practices.
Assessments of Isoamyl phenylacetate's fate in the environment help ensure Isoamyl phenylacetate impact is minimal.
Researchers may explore alternative synthesis routes for isoamyl phenylacetate to improve efficiency, reduce costs, or address environmental concerns.
Green chemistry principles often guide the development of more sustainable synthesis methods.
Isoamyl phenylacetate, like many fragrance compounds, can exhibit variation in scent due to factors such as temperature, humidity, and the specific formulation Isoamyl phenylacetate is a part of.
Perfumers and formulators account for these variations to maintain consistent product quality.
In some formulations, isoamyl phenylacetate may be combined with natural extracts or essential oils to create a more complex and nuanced fragrance.
This blending allows for the creation of unique and distinctive scents.
Isoamyl phenylacetate can be used in the production of scented candles.
Isoamyl phenylacetate adds a fruity and floral note to the candle's fragrance, enhancing the overall olfactory experience when the candle is burned.
Companies involved in the fragrance and flavor industry may explore patent applications related to the synthesis, formulations, or specific applications of isoamyl phenylacetate to protect their innovations.
As with any fragrance compound, some individuals may be more sensitive or allergic to isoamyl phenylacetate.
Companies consider potential consumer sensitivities and may conduct patch tests to ensure the safety of their products.
Isoamyl phenylacetate is generally stable under normal conditions.
However, understanding Isoamyl phenylacetate reactivity with other chemicals in specific formulations is crucial for ensuring product stability and safety.
Trends in the fragrance and flavor industry, such as the demand for natural ingredients, transparency in labeling, and the rise of sustainable practices, can influence the use and marketability of compounds like isoamyl phenylacetate.
Fragrance, including that of isoamyl phenylacetate, can evoke memories and influence perceptions.
The choice of Isoamyl phenylacetate in formulations may be guided by its ability to create positive associations or elicit specific emotions in consumers.
Perfume houses and cosmetic companies often invest in the development of custom fragrances to distinguish their products.
Isoamyl phenylacetate, with its distinctive fruity and floral notes, may be a key component in creating unique and signature scents.
Companies may conduct consumer testing and focus groups to evaluate the appeal of products containing isoamyl phenylacetate.
The rise of online shopping and e-commerce has influenced how consumers experience fragrances.
Uses of Isoamyl phenylacetate:
Isoamyl phenylacetate is widely used in perfumery to impart a pleasant and distinctive aroma to various fragrance formulations.
Isoamyl phenylacetate contributes fruity, floral, and sweet notes, making Isoamyl phenylacetate suitable for a variety of perfumes and colognes.
Isoamyl phenylacetate is utilized in the formulation of cosmetics and personal care products, including lotions, creams, shampoos, and soaps.
Isoamyl phenylacetate adds a pleasant fragrance to these products, enhancing the overall sensory experience for consumers.
Isoamyl phenylacetate is incorporated into scented candles and air fresheners, contributing to the creation of a pleasant ambiance in homes and commercial spaces.
In the food industry, isoamyl phenylacetate may be used as a flavoring agent to impart a fruity and sweet taste.
However, Isoamyl phenylacetate is use in food is generally limited compared to Isoamyl phenylacetate applications in the fragrance sector.
Due to Isoamyl phenylacetate pleasing aroma, isoamyl phenylacetate may find use in aromatherapy products such as essential oils, diffusers, and massage oils, contributing to relaxation and mood enhancement.
Isoamyl phenylacetate is employed in various household products, including cleaning agents, fabric softeners, and laundry detergents, to provide a pleasant scent to these products.
Isoamyl phenylacetate may be used in certain industrial applications where a specific fragrance is desired, such as in the production of adhesives, sealants, or other specialty chemicals.
Isoamyl phenylacetate may be used in the textile industry to impart a pleasant fragrance to fabrics and textiles.
Scented fabrics are sometimes employed in the production of clothing, linens, or home textiles.
Isoamyl phenylacetate is a common ingredient in air care products such as room sprays, reed diffusers, and plug-in air fresheners.
Isoamyl phenylacetate is fruity and floral notes contribute to a pleasing and long-lasting fragrance in indoor spaces.
Isoamyl phenylacetate's characteristic floral and fruity notes make Isoamyl phenylacetate suitable for the creation of floral or fruity fragrances.
Isoamyl phenylacetate is often used as a key component in perfumes and scented products where these fragrance profiles are desired.
Perfumers often use isoamyl phenylacetate as part of custom fragrance blends, experimenting with different combinations to create unique and signature scents for specific brands or products.
Isoamyl phenylacetate may be included in pet care products such as pet shampoos, grooming sprays, or pet deodorizers to provide a pleasant scent for pets.
Isoamyl phenylacetate is sometimes featured in niche or artisanal fragrance products, where a specific and unique scent profile is desired to cater to niche markets or specific consumer preferences.
Isoamyl phenylacetate can be used in the production of scented stationery, notebooks, or paper-based products, enhancing the olfactory experience for users.
Fragrances, including isoamyl phenylacetate, might be used in agricultural or horticultural applications to enhance the scent of certain products or to mask odors associated with fertilizers or pesticides.
Isoamyl phenylacetate is commonly used in laboratories and educational settings as a reference standard in the study of fragrance compounds and their properties.
Isoamyl phenylacetate may be featured in novelty products, seasonal items, or limited-edition releases where a specific fragrance is desired to match a theme or occasion.
Isoamyl phenylacetate might find limited application in the culinary field where a specific fruity or floral note is desired.
Isoamyl phenylacetate could be used in trace amounts in certain food and beverage products.
Isoamyl phenylacetate may be included in scented hand sanitizers or disinfectants, contributing to a pleasant fragrance and potentially enhancing the user experience.
Isoamyl phenylacetate might be used in the production of scented toys, playdough, or other children's products to add an appealing fragrance.
Given Isoamyl phenylacetate pleasant and versatile aroma, Isoamyl phenylacetate can be featured in holiday-themed or seasonal fragrance formulations, contributing to the festive ambiance of products.
Fragrance compounds, including isoamyl phenylacetate, may be incorporated into scented jewelry, such as diffuser necklaces or bracelets, providing a personal and portable aromatic experience.
Fragrance compounds are sometimes added to packaging materials, such as scented cardboard or wrapping paper, to enhance the unboxing experience and add an olfactory element to products.
In the manufacturing of artificial flowers or decorative items, isoamyl phenylacetate may be added to simulate a natural floral scent, enhancing the realism of the artificial products.
Fragrance compounds can be used in marketing materials, such as scented brochures, promotional items, or product samples, to create a memorable and multisensory brand experience.
Isoamyl phenylacetate might be used in retail environments for aroma marketing, enhancing the overall shopping experience and influencing consumer behavior through strategically chosen scents.
Isoamyl phenylacetate could be incorporated into products designed to promote relaxation and sleep, such as scented pillows, sleep masks, or aromatherapy blends for bedtime.
In the entertainment industry, including virtual reality and gaming, fragrances, including those with isoamyl phenylacetate, can be introduced to enhance immersive experiences by adding olfactory elements.
Isoamyl phenylacetate could be infused into sleepwear fabrics or bedding materials, providing a subtle and long-lasting fragrance to enhance the sleeping environment.
Isoamyl phenylacetate might be incorporated into hair care products such as shampoos, conditioners, and styling products to impart a pleasant fragrance to the hair.
In the realm of temporary tattoos or body art, isoamyl phenylacetate could be added to create scented designs, offering a unique sensory experience.
Fragrance compounds, including isoamyl phenylacetate, may find use in educational materials such as scented books, flashcards, or learning aids to engage multiple senses in the learning process.
Isoamyl phenylacetate could be incorporated into pet care items like pet beds, toys, or grooming products to provide a pleasant scent for pets and their owners.
Isoamyl phenylacetate may be used in scented wellness products, including spa items such as scented massage oils, bath salts, and relaxation aids.
Isoamyl phenylacetate might be applied to footwear, insoles, or shoe packaging to add a subtle fragrance to shoes.
Isoamyl phenylacetates can be integrated into automobile accessories such as air fresheners, seat covers, or car mats to create a pleasant interior fragrance.
Isoamyl phenylacetate could be incorporated into fitness-related products, such as scented yoga mats, workout accessories, or sportswear.
In the tech industry, fragrance Isoamyl phenylacetate might be incorporated into devices like smartphones, tablets, or laptops to introduce a subtle and pleasing aroma during use.
Isoamyl phenylacetate could be utilized in scented craft supplies or do-it-yourself (DIY) materials to add fragrance to handmade items.
Fragrance compounds might be used in gardening products such as scented plant markers, potting soil, or decorative items for outdoor spaces.
In event planning, fragrance compounds like isoamyl phenylacetate might be incorporated into merchandise such as scented event tickets, promotional items, or gift bags.
Safety Profile of Isoamyl phenylacetate:
Inhalation of vapors or mists may cause respiratory irritation.
Isoamyl phenylacetate's advisable to use proper ventilation or personal protective equipment, such as a mask, in areas where isoamyl phenylacetate is handled in high concentrations.
Prolonged or repeated skin contact may cause irritation.
Isoamyl phenylacetate's recommended to use protective gloves and, if necessary, protective clothing to prevent skin exposure.
In case of contact, wash the affected area with plenty of water.
Contact with the eyes may cause irritation.
In case of eye contact, Isoamyl phenylacetate's important to rinse the eyes thoroughly with water for at least 15 minutes and seek medical attention if irritation persists.
Isoamyl phenylacetate is not intended for ingestion, accidental ingestion may lead to irritation of the gastrointestinal tract.
If ingested, seek medical attention immediately and provide information about the ingested substance.
Isoamyl phenylacetate is typically not highly flammable.
However, as with any organic compound, Isoamyl phenylacetate should be stored away from open flames and heat sources.
Identifiers of Isoamyl phenylacetate:
Product Number: P0123
Purity / Analysis Method: >98.0%(GC)
Molecular Formula / Molecular Weight: C13H18O2 = 206.29
Physical State (20 deg.C): Liquid
CAS RN: 102-19-2
Reaxys Registry Number: 1951778
PubChem Substance ID: 87574378
SDBS (AIST Spectral DB): 1681
MDL Number:
MFCD00026517
Empirical Formula (Hill Notation): C13H18O2
CAS Number: 102-19-2
Molecular Weight: 206.28
FEMA Number: 2081
EC Number: 203-012-6
Council of Europe no.: 2161
MDL number: MFCD00026517
Flavis number: 9.789
NACRES: NA.21
Formula: C13 H18 O2
Molecular Weight: 206
Cas: 102-19-2
Einecs: 203-012-6
Fema: 2081
Properties of Isoamyl phenylacetate:
Boiling Point: 126 °C/10 mmHg
Flash point: 136 °C
Specific Gravity (20/20): 0.98
Refractive Index: 1.49
agency: follows IFRA guidelines
applications: flavors and fragrances
assay: ≥
assay range: 98%
bromine number: 268
brush size diam. × l: ?C (lit.)
depth: 0.975
depth × h × w: g/mL
depth × overall h: at 25
depth × width: ?C (lit.)
grade:
FG
Fragrance grade
Halal
Kosher
natural
Quality Level: 400
Agency: follows IFRA guidelines
reg. compliance:
EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
Assay: ≥98%
refractive index: n20/D 1.485 (lit.)
bp: 268 °C (lit.)
density: 0.975 g/mL at 25 °C (lit.)
application(s): flavors and fragrances
food allergen: no known allergens
fragrance allergen: no known allergens
Organoleptic: honey; rose; sweet
SMILES string: CC(C)CCOC(=O)Cc1ccccc1
InChI: 1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChI key: QWBQBUWZZBUFHN-UHFFFAOYSA-N
Boiling point: 268 °C(lit.)
Density: 0.98
vapor pressure: 0.907Pa at 25℃
refractive index: n20/D 1.485(lit.)
FEMA: 2081 | ISOAMYL PHENYLACETATE
Flash point: >230 °F
form: clear liquid
color: Colorless to Almost colorless
Odor: at 10.00 % in dipropylene glycol. sweet honey cocoa balsam chocolate castoreum animal
Odor Type: chocolate
Water Solubility: 63.049mg/L at 25℃
JECFA Number: 1014
LogP: 4.08 at 25℃
Specifications of Isoamyl phenylacetate:
Appearance: Colorless to Almost colorless clear liquid
Purity(GC): min. 98.0 %
Appearance At 20°c: Clear Mobile Liquid
Color: Colorless
Odor: Sweet,tenacious,musky,fruity,balsam
Optical Rotation (°): 0 / 0
Density At 20°c (G/ml)): 0,974 - 0,987
Refractive Index Nd20: 1,4830 - 1,4890
Flashpoint (°c): 110
Solubility: Insoluble In Water
Assay (% Gc): > 98 (Sum Of Isomers)
Acid Value (Mg Koh/g): < 1
