ChemicalBook--->CAS DataBase List--->151-05-3

151-05-3

151-05-3 Structure

151-05-3 Structure
IdentificationMore
[Name]

Dimethylbenzylcarbinyl acetate
[CAS]

151-05-3
[Synonyms]

1,1-DIMETHYL-2-PHENYLETHYL ACETATE
2-Benzyl-2-propyl acetate
A A-DIMETHYLPHENETHYL ACETATE
ACETIC ACID 1,1-DIMETHYL-2-PHENYLETHYL ESTER
ALPHA,ALPHA-DIMETHYLPHENETHYL ACETATE
Benzyldimethylcarbinyl acetat
DIMETHYLBENZYLCARBINYL ACETATE
DIMETHYL PHENYLETHYL ACETATE
FEMA 2392
Acetic acid alpha,alpha-dimethyl-beta-phenylethyl ester
alpha,alpha-dimethyl-benzeneethanoacetate
alpha,alpha-Dimethylphenethyl alcohol, acetate
alpha,alpha-dimethyl-phenethylalcohoacetate
alpha,alpha-dimethylphenethylalcohol,acetate
Benzeneethanol, alpha,alpha-dimethyl-, acetate
Benzeneethanol,.alpha.,.alpha.-dimethyl-,acetate
Benzyldimethylcarbinol acetate
Benzyldimethylcarbinyl acetate
benzyldimethylcarbinylacetate
Dimethylbenzylcarbinol acetate
[EINECS(EC#)]

205-781-3
[Molecular Formula]

C12H16O2
[MDL Number]

MFCD00026196
[Molecular Weight]

192.25
[MOL File]

151-05-3.mol
Chemical PropertiesBack Directory
[Melting point ]

31.0 to 35.0 °C
[Boiling point ]

250 °C (lit.)
[density ]

0.998 g/mL at 25 °C(lit.)
[vapor pressure ]

1.9-2.9Pa at 20-25℃
[FEMA ]

2392
[refractive index ]

n20/D 1.4925(lit.)
[Fp ]

206 °F
[storage temp. ]

-20°C
[form ]

neat
[Odor]

at 100.00 %. sweet floral fruity rose green pear berry jasmin powdery
[biological source]

synthetic
[Odor Type]

floral
[Water Solubility ]

774.88mg/L at 20℃
[JECFA Number]

1655
[Major Application]

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
[Cosmetics Ingredients Functions]

FRAGRANCE
PERFUMING
[InChI]

1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
[InChIKey]

FLUWAIIVLCVEKF-UHFFFAOYSA-N
[SMILES]

CC(=O)OC(C)(C)Cc1ccccc1
[LogP]

3.64 at 25℃
[CAS DataBase Reference]

151-05-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzeneethanol, «alpha»,«alpha»-dimethyl-, acetate(151-05-3)
[EPA Substance Registry System]

151-05-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

SG8100000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29153900
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 3
Skin Irrit. 2
[Toxicity]

LD50 orl-rat: 3300 mg/kg FCTXAV 12,533,74
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Methyl-1-phenyl-2-propanol-->(Diacetoxyiodo)benzene-->Acetic anhydride-->Acetyl chloride-->Acetone-->2,2-Dimethyl-3-phenylpropanoic acid-->Benzylmagnesium chloride
[Preparation Products]

2-Methyl-3-phenyl-1-propene
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Chemical Properties]

Dimethylbenzylcarbinyl acetate is a colorless liquid with a floral, woody odor. The ester is used in blossom compositions, for example, lily of the valley, rose, and geranium.
[Chemical Properties]

α,α-Dimethylphenethyl acetate has a powerful floral, fruity odor
[Occurrence]

Has apparently not been reported to occur in nature.
[Uses]

Refer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
[Definition]

ChEBI: 2-Methyl-1-phenyl-2-propanyl acetate is an alkylbenzene.
[Preparation]

By acetylation of dimethylbenzyl carbinol.
[Flammability and Explosibility]

Notclassified
[Safety Profile]

Moderately toxic by ingestion. Askin irritant. When heated to decomposition it emits acridsmoke and irritating fumes.
Spectrum DetailBack Directory
[Spectrum Detail]

Dimethylbenzylcarbinyl acetate(151-05-3)MS
Dimethylbenzylcarbinyl acetate(151-05-3)1HNMR
Dimethylbenzylcarbinyl acetate(151-05-3)13CNMR
Dimethylbenzylcarbinyl acetate(151-05-3)IR1
Dimethylbenzylcarbinyl acetate(151-05-3)IR2
Dimethylbenzylcarbinyl acetate(151-05-3)IR3
Dimethylbenzylcarbinyl acetate(151-05-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

151-05-3(sigmaaldrich)
[TCI AMERICA]

1,1-Dimethyl-2-phenylethyl Acetate,>99.0%(GC)(151-05-3)
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