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DECANAL DIMETHYL ACETAL

Decanal dimethyl acetal is used as a flavoring agent in alcoholic beverages, baked goods, and dairy products.
Decanal dimethyl acetal is used for its sweet orange-like flavor note in beverages and food products.
Decanal dimethyl acetal is recognized under FEMA.

CAS Number: 7779-41-1
MDL Number: MFCD00036509
Molecular Formula: C12H26O2
Molecular Weight: 202.33 g/mol

SYNONYMS:
Decylaldehyde dimethyl acetal, Capraldehyde dimethyl acetal, 1,1‑dimethoxydecane, n‑Decanal dimethyl acetal, Aldehyde C‑10 dimethyl acetal, aldehyde C 10-dimethylacetal, aldehyde C-10 dimethyl acetal, aldehyde C-10 dimethylacetal, capraldehyde dimethyl acetal, decanal, dimethyl acetal, decanal, dimethylacetal, decane, 1,1-dimethoxy-, decyl aldehyde dimethyl acetal, decylaldehyde dimethyl acetal, decylaldehyde dimethylacetal, decylaldehyde DMA, 1,1-dimethoxydecane, 10,10-dimethoxydecane, Decylaldehyde dimethylacetal; Decane, 1,1-dimethoxy-; 1,1-Dimethoxydecane; Aldehyde C-10 dimethylacetal; Decylaldehyde dma; n-Decanal dimethyl acetal, 1,1-Dimethoxydecane, Decanal dimethyl acetal, 7779-41-1, Decane, 1,1-dimethoxy-, Decylaldehyde DMA, Decanal, dimethyl acetal, Decylaldehyde dimethyl acetal, Capraldehyde dimethyl acetal, Aldehyde C-10 dimethylacetal, 10,10-Dimethoxydecane, DECANAL, DIMETHYLACETAL, FEMA No. 2363, 9JJ0AU8EKL, EINECS 231-928-6, NSC 46132, BRN 4242149, AI3-36022, NSC-46132, DTXSID3064803, Decanal, dimethyl acetal (8CI), DECANAL DIMETHYL ACETAL [FHFI], DTXCID0048002, 231-928-6, n-Decanal dimethyl acetal, Decylaldehyde dimethylacetal, Dimethyl Acetal Decanal; NSC 46132, UNII-9JJ0AU8EKL, Decane,1-dimethoxy-, 1,1-Dimethoxy-Decane, SCHEMBL531066, FEMA 2363, CHEBI:178468, Decanal dimethyl acetal, >=98%, NSC46132, AKOS015901961, DB-230165, NS00012191, G72695, Q27272633, Decylaldehyde dimethylacetal, Decane, 1,1-dimethoxy-, 1,1-Dimethoxydecane, Aldehyde C-10 dimethylacetal, Decylaldehyde dma, n-Decanal dimethyl acetal, Aldehyde C-10 dimethyl acetal, Capraldehyde dimethyl acetal, 1,1-dimethoxy-decan, decanal dimethyl acetal, aldehydec-10dimethylacetal, fema 2363, capraldehyde dimethyl acetal, decane,1,1-dimethoxy-, 10,10-dimethoxydecane, 1,1-dimethoxydecane, decylaldehydedma, decylaldehyd-dimethylacetal, ALDEHYDE C-10 DIMETHYL ACETAL, CAPRALDEHYDE DIMETHYL ACETAL

Decanal dimethyl acetal belongs to the class of organic compounds known as acetals.
Acetals are compounds having the structure R2C(OR')2 (R' not Hydrogen) and thus diethers of geminal diols.
Originally, the term was confined to derivatives of aldehydes (one R = H), but Decanal dimethyl acetal now applies equally to derivatives of ketones (neither R = H).

Mixed acetals have different R' groups.
Decanal dimethyl acetal is a citrus, green, and herbal tasting compound.
Decanal dimethyl acetal has been detected, but not quantified in, blackberries (Rubus) and evergreen blackberries (Rubus laciniatus).

This could make Decanal dimethyl acetal a potential biomarker for the consumption of these foods.
Based on a literature review a significant number of articles have been published on Decanal dimethyl acetal.
Decanal dimethyl acetal belongs to the class of organic compounds known as acetals.

Acetals are compounds having the structure R2C(OR')2 (R' not Hydrogen) and thus diethers of geminal diols.
Originally, the term was confined to derivatives of aldehydes (one R = H), but Decanal dimethyl acetal now applies equally to derivatives of ketones (neither R = H).

Mixed acetals have different R' groups.
Decanal dimethyl acetal is a colorless liquid used as a flavor and fragrance.
As a fragrance, Decanal dimethyl acetal has a waxy, floral odor which develops slowly.

The fragrance of Decanal dimethyl acetal uses include rose, neroli, bergamot, and tuberose compositions.
Decanal dimethyl acetal has a sweet taste with orange undertones.
Decanal dimethyl acetal finds use in citrus, grape, tea, and brandy flavors.

Decanal dimethyl acetal is insoluble in water.
Decanal dimethyl acetal is soluble in alcohol.
Decanal dimethyl acetal is a colorless to pale yellow liquid with a waxy, floral scent.

Decanal dimethyl acetal has a brandy, cognac taste.
Decanal dimethyl acetal is synthesized from decanal and methyl alcohol.
Decanal Dimethyl Acetal, also known as 1,1-Dimethoxydecane, is a chemical compound primarily used in the cosmetic industry for its perfuming properties.

Decanal dimethyl acetal is a type of acetal.
Acetals are a class of organic compounds formed by the reaction of an aldehyde with an alcohol.
In this case, decanal (a ten-carbon aldehyde) reacts with methanol to produce Decanal Dimethyl Acetal.

The history of Decanal Dimethyl Acetal in cosmetics is relatively recent.
The demand for unique and long-lasting fragrances has grown.
Initially, Decanal dimethyl acetal was used in the flavor and fragrance industry due to its pleasant scent.

The scent can be described as fresh and citrusy with a hint of floral undertones.
Over time, its stability and compatibility with other cosmetic ingredients made Decanal dimethyl acetal a popular choice for perfuming applications in various beauty and personal care products.

The production of Decanal Dimethyl Acetal involves a chemical synthesis process.
Decanal is treated with methanol in the presence of an acid catalyst.
This reaction results in the formation of the acetal.

The acetal is then purified and incorporated into cosmetic formulations.
The process is carefully controlled to ensure the purity and quality of the final product.
This makes Decanal dimethyl acetal suitable for use in a wide range of cosmetic applications.

USES and APPLICATIONS of DECANAL DIMETHYL ACETAL:
The resulting liquid, Decanal dimethyl acetal, is used as a flavoring agent in alcoholic beverages, baked goods, and dairy products.
Fragrance industry uses of Decanal dimethyl acetal: Essential in perfume compositions, especially floral and citrus accords.

Flavorings: Decanal dimethyl acetal is used for its sweet orange-like flavor note in beverages and food products.
Industrial aroma compound: Decanal dimethyl acetal is recognized under FEMA (#2363).

ALTERNATIVE PARENTS OF DECANAL DIMETHYL ACETAL:
*Hydrocarbon derivatives

SUBSTITUENTS OF DECANAL DIMETHYL ACETAL:
*Acetal
*Hydrocarbon derivative
*Aliphatic acyclic compound

BENEFITS OF DECANAL DIMETHYL ACETAL:
Decanal Dimethyl Acetal is primarily used in cosmetics for its perfuming properties.
Decanal dimethyl acetal is added to products to impart a pleasant fragrance.
Whether it’s a lotion, cream, or shampoo, the inclusion of Decanal Dimethyl Acetal can enhance the sensory experience.

Decanal dimethyl acetal provides a fresh, appealing scent.
This can make Decanal dimethyl acetal more enjoyable to use.
Decanal dimethyl acetal can contribute to the overall perception of cleanliness and luxury.

ORGANOLEPTIC PROFILE & OCCURRENCE OF DECANAL DIMETHYL ACETAL:
*Odor:
Decanal dimethyl acetal is waxy, floral–citrus with sweet orange or green neroli nuances.
Decanal dimethyl acetal is moderate intensity.

*Use in fragrance:
Decanal dimethyl acetal enhances rose, neroli, bergamot, tuberose blends.
Decanal dimethyl acetal exists in citrus oils and blackberry aroma.

*Taste:
Decanal dimethyl acetal is sweet orange undertones.
Decanal dimethyl acetal is used in citrus, grape, tea, brandy flavors.

PHYSICAL and CHEMICAL PROPERTIES of DECANAL DIMETHYL ACETAL:
Compound Canonicalized: Yes
IUPAC name: Decane, 1,1‑dimethoxy‑ (Decanal dimethyl acetal)
CAS number: 7779‑41‑1
EC / EINECS number: 231‑928‑6
PubChem CID: 24513
ChemSpider ID: via PubChem mapping
Molecular formula / weight: C₁₂H₂₆O₂; 202.33 g/mol
Appearance: Clear, colorless oily liquid

Density / Specific gravity: ~0.83 g/mL
Melting point: ≈2 °C
Boiling point: ~233–234 °C; at 1 mm Hg, ≈78 °C
Vapor pressure: ≈0.066 mm Hg @ 20 °C (0.02–0.1 mm Hg range)
Log P (octanol–water): ~3.75–4.15
Water solubility: ~12 mg/L (0.012 g/L)
Refractive index: ~1.428–1.43

Thermodynamic data (from Joback estimates):
Δ_vapH°: ≈ 46.7 kJ/mol
Δ_fG°: ≈ −162 kJ/mol
CAS Number: 7779-41-1
Nikkaji Web: J60.726F
Beilstein Number: 4242149
MDL: MFCD00036509
CoE Number: 43
XlogP3-AA: 4.60 (est)

Molecular Weight: 202.33762000
Formula: C12 H26 O2
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.84200 to 0.85200 @ 25.00 °C.
Pounds per Gallon - (est): 7.006 to 7.089
Refractive Index: 1.42000 to 1.43000 @ 20.00 °C.

Boiling Point: 218.00 °C. @ 760.00 mm Hg
Boiling Point: 77.00 to 79.00 °C. @ 1.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.091000 mmHg @ 25.00 °C. (est)
Vapor Density: >1 ( Air = 1 )
Flash Point: 199.00 °F. TCC ( 92.78 °C. )
logP (o/w): 4.079 (est)
Soluble in: alcohol
water, very slightly
water, 12.12 mg/L @ 25 °C (est)

Insoluble in: water
Stability: alkalis ammonia
Molecular Weight: 202.33 g/mol
XLogP3-AA: 4.6
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 10
Exact Mass: 202.193280068 Da
Monoisotopic Mass: 202.193280068 Da
Topological Polar Surface Area: 18.5 Å²
Heavy Atom Count: 14

Formal Charge: 0
Complexity: 100
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Compound Canonicalized: Yes

InChI: InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3
InChI Key: NCRNCSZWOOYBQF-UHFFFAOYSA-N
Formula: C12H26O2
SMILES: CCCCCCCCCC(OC)OC
Molecular Weight1: 202.33
CAS: 7779-41-1
Chemical name: 1,1-Dimethoxydecane
JECFA number: 945
CAS number: 7779-41-1
FEMA number: 2363

COE number: 43
FLAVIS number: -
Molecular weight: 202.34
Chemical formula: C12H26O2
Physical form/odour: colourless liquid with a herbaceous, green, citrus-floral odour
Solubility: insoluble in water; soluble in organic solvents, oils
Solubility in ethanol: miscible at room temperature
Boiling point (°C): 218°; 77-79° (1 mm Hg)
Assay min %: 95%

Acid value max: 1
Refractive index: 1.420-1.430
Specific gravity: 0.830-0.852
Water Solubility: 0.0079 g/L
logP: 4.1
logP: 4.17
logS: -4.4
pKa (Strongest Basic): -4
Physiological Charge: 0

Hydrogen Acceptor Count: 2
Hydrogen Donor Count: 0
Polar Surface Area: 18.46 Å²
Rotatable Bond Count: 10
Refractivity: 60.38 m³·mol⁻¹
Polarizability: 26.24 Å³
Number of Rings: 0
Bioavailability: Yes
Rule of Five: Yes
Ghose Filter: Yes

Veber's Rule: Yes
MDDR-like Rule: No
Chemical Formula: C12H26O2
IUPAC name: 1,1-dimethoxydecane
InChI Identifier: InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3
InChI Key: NCRNCSZWOOYBQF-UHFFFAOYSA-N
Isomeric SMILES: CCCCCCCCCC(OC)OC
Average Molecular Weight: 202.3336
Monoisotopic Molecular Weight: 202.193280076

FIRST AID MEASURES of DECANAL DIMETHYL ACETAL:
-Description of first-aid measures
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation:
Fresh air.
*In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with
water/ shower.
*In case of eye contact:
After eye contact:
Rinse out with plenty of water.
Call in ophthalmologist.
Remove contact lenses.
*If swallowed:
After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.
-Indication of any immediate medical attention and special treatment needed.
No data available

ACCIDENTAL RELEASE MEASURES of DECANAL DIMETHYL ACETAL:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up dry.
Dispose of properly.
Clean up affected area.

FIRE FIGHTING MEASURES of DECANAL DIMETHYL ACETAL:
-Extinguishing media:
*Suitable extinguishing media:
Carbon dioxide (CO2)
Foam
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.

EXPOSURE CONTROLS/PERSONAL PROTECTION of DECANAL DIMETHYL ACETAL:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
Safety glasses
*Body Protection:
protective clothing
*Respiratory protection:
Recommended Filter type: Filter A
-Control of environmental exposure:
Do not let product enter drains.

HANDLING and STORAGE of DECANAL DIMETHYL ACETAL:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
Dry.

STABILITY and REACTIVITY of DECANAL DIMETHYL ACETAL:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available