Grundinformationen
- CAS
151-05-3- Standard-SMILES
CC(=O)OC(C)(C)Cc1ccccc1- InChIKey
FLUWAIIVLCVEKF-UHFFFAOYSA-N- Summenformel
- C12H16O2
- Durchschnittliche Molmasse
- 192,25 g/mol
- Monoisotopische Masse
- 192,11502975
Überblick
2-Methyl-1-phenyl-2-propanyl acetate is an alkylbenzene.
Namen und Bezeichner
- Bevorzugter Name
- Dimethyl benzyl carbinyl acetate
- IUPAC
- (2-methyl-1-phenylpropan-2-yl) acetate
- Lokaler Name
- α,α-Dimethylphenethylacetat
- Englischer Name
- Dimethylbenzylcarbinyl acetate
- Summenformel
- C12H16O2
- Molmasse
- 192.25
Namen und Synonyme
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
Weitere Namen anzeigen
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
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 190
Experimentelle und physikochemische Eigenschaften
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
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
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%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29153900
- RTECS-Nr.
- SG8100000
- risk_code
- 36/38
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
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
Anwendungen
OccurrenceHas apparently not been reported to occur in nature.
Darstellung
synthetischeBy acetylation of dimethylbenzyl carbinol.
Zugehörige Reaktionen
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