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IONONE

CAS No. : 8013-90-9
EINECS No. : 232-396-8
Molecular Formula : C13H20O

The ionones are a series of closely related chemical substances that are part of a group of compounds known as rose ketones, which also includes damascones and damascenones. 
Ionones are aroma compounds found in a variety of essential oils, including rose oil. 
β-Ionone is a significant contributor to the aroma of roses, despite β-Ionones relatively low concentration, and is an important fragrance chemical used in perfumery. 
The ionones are derived from the degradation of carotenoids.
The carotenes α-carotene, β-carotene, γ-carotene, and the xanthophyll β-cryptoxanthin, can all be metabolized to β-ionone, and thus have vitamin A activity because they can be converted by plant-eating animals to retinol and retinal. 
Carotenoids that do not contain the β-ionone moiety cannot be converted to retinol, and thus have no vitamin A activity.
Different ionones have subtly different characters, though, ranging from soft violets in full bloom through the iris/earthy/woodsiness of an ionone variation by the name of methyl ionone.  
The ionones are a series of closely related chemical substances. 
Ionones are part of rose ketones, which also include damascones and damascenones. 
Ionones are aroma compounds naturally found in essential oils, including rose oil.
α-ionone is prepared by the cyclization of pseudoionone.
Ionone or 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one or cyclocitrylideneacetone or irisone C13H20O is a chemical substance and part of the terpene family. Ionone is an aroma compound. 
Ionones is a pale yellow liquid with a woody, dry, fruity, raspberry and violet smell. 


Uses and applications of IONONE:
-The combination of α-ionone and β-ionone is characteristic of the scent of violets and used with other components in perfumery and flavouring to recreate their scent.
-Ionone, made from citral, are used in perfumery.
-Ionone is also converted into synthetic vitamin A.
-Ionone is used in many floral fragrance, such as rose, woody, amber, balsamic and powdery fragrance, playing the role of modifying, sweetening and enhancing the fragrance of flowers.
-Ionone is used in the fragrance formulation of daily commodities.
-Ionone is used for the synthesis of a new high-grade tobacco flavor called megastigmatrienone.
-Ionone is used as alcohol flavor.
-Ionones is a raw material for the production of retinol.


Physical and chemical properties of IONONE:
Mol. Weight :    192.3
Density ( gm/ml ) @ 25°C: 0.930 - 0.938
Refractive Index @ 20°C: 1.5010 - 1.5060
Solubility: Insoluble in water
Boiling Point: No data available
Flash Point (TCC): >100°C

IUPAC names of IONONE:
α: (3E)-4-(2,6,6-Trimethylcyclohex-2-en-1-yl)but-3-en-2-one
β: (3E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
γ: (3E)-4-(2,2-Dimethyl-6-methylenecyclohexyl)but-3-en-2-one

ALPHA-IONONE  


ALPHA-IONONE = Iraldeine


CAS Number: 127-41-3
EC-No. : 204-841-6
MDL Number: MFCD00001565
Molecular Formula: C13H20O

Physical and chemical properties of ALPHA-IONONE:
Color/Form: Colorless to slightly yellow liquid
Colourless to pale-yellow liquid with a warm, woody, violet-floral odour
Odor: It has a warm, woody, floral odor with balsamic and sweet tones and is strongly reminiscent of violet flowers.
Odor Description: Woody, Floral, Violet. 
A fine quality of alpha ionone. 
This is the most floral and most violet-like of all the ionones. 
Orris-like and sweet
Sweet-floral odor, reminiscent of violets.
Taste: Woody, floral, berry, fruity with powdery nuances.
Molecular Weight: 192.30
Min. Purity Spec: 95% (GC)
Spectra: GCMS, GC
Physical Form (at 20°C): Colorless liquid
Boiling Point: 258 °C at 760 mm Hg
Boiling point: 126-128 °C at 12 mm Hg /mixed ionone isomers/
Flash Point: 117°C
Density: 0.9319 at 20/4 °C
Refractive Index: 1.50
Long-Term Storage: Store long-term in a cool, dry place.
Solubility:    
Soluble in ethanol fixed oils, propylene glycol.
Soluble in alcohol, most fixed oils, propylene glycol; insoluble in glycerin.
Miscible with absolute alcohol. 
Soluble in 2 to 3 parts of 70% alcohol, ether, chloroform, benzene. 
Very slightly soluble in water (/mixed ionone isomers/).
Soluble in alcohol, propylene glycol, most fixed oils; insoluble in glycerol and water
Slightly soluble in alcohol, ether, mineral oil.
Specific gravity: 0.933-0.937 25/25 °C
Specific Gravity: 0.92700 to 0.93300 @ 25.00 °C.
Pounds per Gallon - (est).: 7.714 to 7.763
Specific Gravity: 0.92800 to 0.93600 @ 20.00 °C.
Pounds per Gallon - est.: 7.731 to 7.798
Refractive Index: 1.49700 to 1.50200 @ 20.00 °C.
Boiling Point: 131.00 °C. @ 13.00 mm Hg
Boiling Point: 237.00 to 238.00 °C. @ 760.00 mm Hg
Vapor Pressure:    0.014000 mmHg @ 25.00 °C. (est)
Vapor Density: 7 ( Air = 1 )
Flash Point: > 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 3.995
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage: refrigerate in tightly sealed containers.
Appearance Form: clear, viscous liquid
Colour: light yellow
pH: No data available
Melting point/freezing point: No data available
Relative density: 0,93 g/cm3 at 25 °C

First aid measures of ALPHA-IONONE:
-Description of first aid measures:
General advice:
Consult a physician. 
Show this safety data sheet to the doctor in attendance.
If inhaled:
If breathed in, move person into fresh air. 
If not breathing, give artificial respiration.
Consult a physician.
In case of skin contact:
Wash off with soap and plenty of water. 
Consult a physician.
In case of eye contact:
Flush eyes with water as a precaution.
If swallowed:
Never give anything by mouth to an unconscious person. 
Rinse mouth with water. 
Consult a physician.

Firefighting measures of ALPHA-IONONE:
Extinguishing media:
Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Advice for firefighters:
Wear self-contained breathing apparatus for firefighting if necessary.
Further information: No data available

Accidental release measures of ALPHA-IONONE:
-Personal precautions, protective equipment and emergency procedures:
Use personal protective equipment. 
Avoid breathing vapours, mist or gas. 
Ensure adequate ventilation. 
Evacuate personnel to safe areas.
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Soak up with inert absorbent material and dispose of as hazardous waste. 
Keep in suitable, closed containers for disposal.

Handling and storage of ALPHA-IONONE:
-Precautions for safe handling:
Avoid contact with skin and eyes. 
Normal measures for preventive fire protection.
-Conditions for safe storage, including any incompatibilities:
Store in cool place. 
Keep container tightly closed in a dry and well-ventilated place.
Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Light sensitive.


Exposure controls/personal protection of ALPHA-IONONE:
-Control parameters:
Components with workplace control parameters
-Exposure controls:
Appropriate engineering controls:
Handle in accordance with good industrial hygiene and safety practice. 
Wash hands before breaks and at the end of workday.

Personal protective equipment:
Eye/face protection:
Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection:
Handle with gloves. 
Gloves must be inspected prior to use. 
Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. 
Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. 
Wash and dry hands.

Body Protection:
Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.

Respiratory protection:
Where risk assessment shows air-purifying respirators are appropriate use a fullface respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. 
If the respirator is the sole means of protection, use a full-face supplied air respirator. 
Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).

SYNONYM(S):
(E)-alpha-Ionone
3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-
α-Cyclocitrylideneacetone
(E)-α-Ionone
trans-α-Ionone
3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, trans
4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one, (E)-
(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
α-(E)-Ionone
trans-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)- 
Ionone; 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (α-ionone)
4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one


BETA-IONONE

beta-Ionone = 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one

CAS-No. : 14901-07-6
EC-No. : 201-224-3
MDL Number :MFCD00001549
Formula : C13H20O


Ionone Beta has a particularly intense freesia character. 
Ionone Beta is useful in the formulation of boronia and indispensable in violet compositions. 
The volume of Ionone Beta is emphasized by a fruity,somewhat raspberry-like background. 
Ionone Beta has good substantivity and is used in all areas of perfumery.
The beta isomer can be used instead, or more commonly alongside the alpha in many circumstances and appears in the headspace of many flowers, though in most cases as a minor constituent. 
The beta isomer can be used instead, or more commonly alongside the alpha in many circumstances and appears in the headspace of many flowers, though in most cases as a minor constituent.
Beta-ionone, also known as (e)-b-ionone or trans-beta-ionone, belongs to the class of organic compounds known as sesquiterpenoids. 
These are terpenes with three consecutive isoprene units. 
Beta-ionone is a neutral compound. 
Beta-ionone has a dry, floral, and flower taste with a cedar wood-like scent. 
Ionone Beta is a naturally occurring organic compound found in a variety of essential oils, including rose oil, flowers from Boronia megastigma and coml oil. 
Beta-ionone is found in highest concentrations in corns, tea, and carrots and in lower concentrations in hyssops, peppermints, and safflowers.
Belongs to the class of organic compounds known as sesquiterpenoids. 
These are terpenes with three consecutive isoprene units.
Beta Ionone is sweet floral violet raspberry woody fruity floral distinctive beeswax modification warm dry freesia grape strawberry soap pine needle frags berry cherry muscatel nut licorice candy.
β-Ionone is an aroma compound commonly found in essential oils such as rose oil. 
β-Ionone is effective in the chemoprevention of rat mammary cell carcinogenesis.
Beta-Ionone, also known as (e)-b-ionone or trans-beta-ionone, belongs to the class of organic compounds known as sesquiterpenoids. 
These are terpenes with three consecutive isoprene units. 


USES AND APPLICATIONS BETA-IONONE:
-Beta-ionone has also been detected in common grapes, sour cherries, common wheats, garden tomato, and wakames making beta-ionone a potential biomarker for the consumption of these foods. 
-Beta-ionone is used as to make Vitamins A, E and K1. 
-Ionone Beta is used as a fragrance in perfumes, cosmetics and personal care products, and household cleaners and detergents. 
-Beta-ionone is used as a food flavoring in beverages, ice-cream, baked goods and candies.
-β-Ionone is effective in the chemoprevention of rat mammary cell carcinogenesis.
-Ionone Beta is also more widely used in lipstick fragrances on account of Ionone Betas compatibility with fruity fragrance materials.

Physical and chemical properties of BETA-IONONE:
Molecular weight : 192,30 g/mol
Appearance Form: liquid
Odor: No data available
Odor Threshold: No data available
pH: 5,67 at 24 °C (as aqueous solution)
Melting point/freezing point: No data available
Initial boiling point and boiling range: 126 - 128 °C at 16 hPa - lit.
Flash point: > 113 °C - closed cup
Evaporation rate: No data available
Flammability (solid, gas): No data available
Upper/lower flammability or explosive limits: No data available
Vapor pressure: No data available
Vapor density: No data available
Density: 0,945 g/cm3 at 25 °C - lit.
Relative density: No data available
Water solubility: 10.000 g/l at 27 °C
Partition coefficient: n-octanol/water
log Pow: 1,90 at 27 °C - (Lit.)
Bioaccumulation is not expected.
Autoignition temperature: No data available
Decomposition temperature: No data available
Viscosity:
Viscosity, kinematic: No data available
Viscosity, dynamic: No data availabl
Water Solubility: 0.1 g/L    ALOGPS
logP: 4.11    
logP: 3.28    
logS: -3.3    
pKa (Strongest Acidic):    19.71    
pKa (Strongest Basic): -4.7    
Physiological Charge: 0    
Hydrogen Acceptor Count: 1    
Hydrogen Donor Count: 0    
Polar Surface Area: 17.07 Ų    
Rotatable Bond Count: 2    
Refractivity: 61.82 m³·mol⁻¹    
Polarizability: 23.36 ų    
Number of Rings: 1


Alternative Parents of BETA-IONONE:
-Enones 
-Acryloyl compounds 
-Ketones 
-Organic oxides 
-Hydrocarbon derivatives 

Substituents of BETA-IONONE:
-Cyclofarsesane sesquiterpenoid
-Megastigmane sesquiterpenoid
-Sesquiterpenoid
-Ionone derivative
-Alpha,beta-unsaturated ketone
-Enone
-Acryloyl-group
-Ketone
-Organic oxygen compound
-Organic oxide
-Hydrocarbon derivative
-Organooxygen compound
-Carbonyl group
-Aliphatic homomonocyclic compound

First aid measures of BETA-IONONE:
-Description of first-aid measures
General advice:
Consult a physician. 
Show this material safety data sheet to the doctor in attendance.
If inhaled:
If breathed in, move person into fresh air. 
If not breathing, give artificial respiration.
Consult a physician.
In case of skin contact:
Wash off with soap and plenty of water. 
Consult a physician.
In case of eye contact:
Flush eyes with water as a precaution.
If swallowed:
Never give anything by mouth to an unconscious person. 
Rinse mouth with water. 
Consult a physician.


Firefighting measures of BETA-IONONE:
-Extinguishing media:
Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
-Special hazards arising from the substance or mixture:
Carbon oxides
-Advice for firefighters:
Wear self-contained breathing apparatus for firefighting if necessary.
-Further information: No data available.

Accidental release measures of BETA-IONONE:
-Personal precautions, protective equipment and emergency procedures:
Use personal protective equipment. 
Avoid breathing vapors, mist or gas. 
Ensure adequate ventilation.
-Environmental precautions:
Prevent further leakage or spillage if safe to do so. 
Do not let product enter drains.
Discharge into the environment must be avoided.
Keep in suitable, closed containers for disposal.

Handling and storage of BETA-IONONE:
-Precautions for safe handling:
Advice on safe handling:
Hygiene measures.
Handle in accordance with good industrial hygiene and safety practice. 
Wash hands before breaks and at the end of workday.


-Conditions for safe storage, including any incompatibilities:
Storage conditions:
Store in cool place. 
Keep container tightly closed in a dry and well-ventilated place.
Containers which are opened must be carefully resealed and kept upright to prevent leakage.


Exposure controls/personal protection of BETA-IONONE:
-Control parameters
Ingredients with workplace control parameters
-Exposure controls:
Personal protective equipment:
Eye/face protection:
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection:
Handle with gloves. 
Gloves must be inspected prior to use. 
Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. 
Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. 
Wash and dry hands.


Respiratory protection:
Where risk assessment shows air-purifying respirators are appropriate use a fullface respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. 
If the respirator is the sole means of protection, use a full-face supplied air respirator. 
Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).

Control of environmental exposure:
Prevent further leakage or spillage if safe to do so. 
Do not let product enter drains.
Discharge into the environment must be avoided.

SYNONYMS:
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one, beta-Ionone 
(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one    
(3E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one    
(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one    
(e)-b-Ionone    
(e)-beta -Ionone    
(e)-beta-Ionone    
(E)-beta-ionone    
(e)-Β-ionone    
(E)-β-ionone    
(e)-β-ionone

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