Basic information
- CAS
151-05-3- Standard SMILES
CC(=O)OC(C)(C)Cc1ccccc1- InChIKey
FLUWAIIVLCVEKF-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Overview
2-Methyl-1-phenyl-2-propanyl acetate is an alkylbenzene.
Names & identifiers
- Preferred name
- Dimethyl benzyl carbinyl acetate
- IUPAC
- (2-methyl-1-phenylpropan-2-yl) acetate
- English name
- Dimethylbenzylcarbinyl acetate
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
151-05-3Dimethylbenzylcarbinyl acetateDimethyl benzyl carbinyl acetate1,1-Dimethyl-2-phenylethyl acetateBenzyldimethylcarbinyl acetateBenzyldimethylcarbinol acetateDimethylbenzylcarbinol acetatealpha,alpha-Dimethylphenethyl acetateBenzyl dimethyl carbinyl acetate2-Benzyl-2-propyl acetateDimethylbenzyl carbinol acetateFEMA No. 2392
Show more names
DMBCAα,α-Dimethylphenethyl acetateFEMA 2392Benzyldimethylcarbinyl acetatα,α-Dimethylphenethyl acetateDimethylbenzylcarbinylDIMETHYL PHENYLETHYL ACETATE
alpha,alpha-Dimethylbenzeneethyl acetateDTXSID3041877Benzeneethanol, alpha,alpha-dimethyl-, 1-acetateEINECS 205-781-3alpha,alpha-Dimethylphenethyl alcohol, acetateBenzeneethanol, alpha,alpha-dimethyl-, acetateBRN 1941670Benzeneethanol, .alpha.,.alpha.-dimethyl-, acetate
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
CosmeticsCosmetics ingredient -> Fragrance
FragrancesFragrance Ingredient (1,1-Dimethyl-2-phenylethyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.995-1.002
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in mineral oil, most fixed oils and propylene glycol; insoluble in water
Soluble (in ethanol)
Boiling Point249-251 °C
Melting Point30 °C
Refractive Index1.490-1.495
Physical Description
Dry Powder; Large Crystals; CBI; Liquid
Solid
White to colourless liquid or crystals at room temperature; Powerful floral, fruity aroma
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 68.4% (1348 of 1971) of all reports.
H412 (29.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1971 reports by companies from 8 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzeneethanol, .alpha.,.alpha.-dimethyl-, acetate
Hazard Traits - Fragrance Allergen
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 12-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19336
Benzeneethanol, .alpha.,.alpha.-dimethyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 3 (29.4%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SG8100000
- hs_code
- 29153900
- Toxicity
- LD50 orl-rat: 3300 mg/kg FCTXAV 12,533,74
- risk_code
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesProcessing aids not otherwise specified
Industry UsesFragrance
Household Products
Cosmetics product ingredient: 2-Methyl-1-phenyl-2-propyl acetate; Dimethylbenzyl Carbinyl Acetate (Dimethyl Phenethyl Acetate)
Information on 75 consumer products that contain alpha,alpha-Dimethylbenzeneethyl acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-acetate: ACTIVE
Applications
OccurrenceHas apparently not been reported to occur in nature.
UsesRefer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Preparation methods
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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