103-07-1

Basic information

• Product Name: DIMETHYL PHENYL ETHYL CARBINYL ACETATE
• Synonyms: 1,1-dimethyl-3-phenylpropylacetate;PHENYLETHYL3,3-DIMETHYLACRYLATE;1,1-Dimethyl-3-phenylpropylacetat;DIMETHYLPHENYLETHYL-CARBINYLACETAT;Dimethylphenethylcarbinol acetate;Phenylethyl dimethyl carbinyl acetate;2-methyl-4-phenyl-2-butanoacetate;2-methyl-4-phenyl-2-butylacetate
• CAS NO: 103-07-1
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28
• EINECS: 203-077-0
• Mol File: 103-07-1.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 286℃
• Flash Point: 111℃
• Appearance: /
• Density: 0.990
• Vapor Pressure: 0.00273mmHg at 25°C
• Refractive Index: 1.4860 (estimate)
• CAS DataBase Reference: DIMETHYL PHENYL ETHYL CARBINYL ACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIMETHYL PHENYL ETHYL CARBINYL ACETATE(103-07-1)
• EPA Substance Registry System: DIMETHYL PHENYL ETHYL CARBINYL ACETATE(103-07-1)

Safety Data

• Hazardous Substances Data: 103-07-1(Hazardous Substances Data)

Usage

Description

DIMETHYL PHENYL ETHYL CARBINYL ACETATE, also known as 2-Methyl-4-phenyl-2-butyl acetate, is a colorless and transparent liquid with a distinct jasmine and hyacinth-like odor, accompanied by a subtle rose undertone. This unique combination of fragrance notes makes it a valuable compound in the field of perfumery and flavoring.

Uses

Used in Perfumery:
DIMETHYL PHENYL ETHYL CARBINYL ACETATE is used as a fragrance ingredient for its ability to provide a pleasant and complex aroma, evoking the scents of jasmine, hyacinth, and rose.
Used in Flavor Industry:
DIMETHYL PHENYL ETHYL CARBINYL ACETATE is used as an additive in the flavor industry for its unique and versatile taste profile, enhancing the flavor of various food and beverage products.
Used in Cosmetics:
DIMETHYL PHENYL ETHYL CARBINYL ACETATE is used as a component in the cosmetics industry, where its appealing scent can be utilized in the formulation of various personal care products, such as lotions, creams, and perfumes.
Used in the Pharmaceutical Industry:
DIMETHYL PHENYL ETHYL CARBINYL ACETATE may also find applications in the pharmaceutical industry, potentially serving as a component in the development of new drugs or as a flavoring agent for medications to improve patient compliance.

InChI:InChI=1/C13H18O2/c1-11(14)15-13(2,3)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3

Upstream product

• 3277-89-2 phenethylmagnesium bromide 
• 103-05-9 4-phenyl-2-methyl-2-butanol 
• 127-08-2 potassium acetate 
• 2550-26-7 4-Phenyl-2-butanone 
• 4374-44-1 2,2-dimethyl-4-phenylbutyric acid 
• 3240-34-4 [bis(acetoxy)iodo]benzene 
• 100-42-5 styrene 
• 463-51-4 Ketene 
• 108-24-7 acetic anhydride 

Downstream Products

• 103-05-9 4-phenyl-2-methyl-2-butanol 
• 79399-21-6 (2-methyl-4-phenylbutan-2-yl)(phenyl)sulfane 
• 4489-84-3 3-methyl-1-phenylbut-2-ene 
• 6683-51-8 2-methyl-4-phenyl-1-butene 

Relevant articles and documents

Correlation of Alkyl and Polar Substituents at the Alcoholic Side of Tertiary Acetates with the Rate of Pyrolyses in the Gas Phase

The rate coefficients for the gas-phase pyrolysis of several tertiary acetates have been measured in a static system over the temperature range of 220-340 deg C and pressure range of 40-186 torr.In seasoned vessels the reactions are homogeneous, follow a first-order rate law, and are unimolecular.The temperature dependence of the rate coefficients is given by the following Arrhenius equations: for 3,3,3-trichloro-2-methyl-2-propyl acetate, log k1 (s-1) = (13.86 +/- 0.35) - (188.8 +/- 3.8) kJ mol-1 (2.303 RT)-1; for methyl α-acetoxyisobutyrate, log k1 (s-1) = (12.42 +/- 0.28) - (174.6 +/- 3.2) kJ mol-1 (2.303 RT)-1; for 2-methyl-2-hexyl acetate, log k1 (s-1) = (13.35 +/- 0.33) - (166.1 +/- 3.4) kJ mol-1 (2.303 RT)-1; for 2,4-dimethyl-2-pentyl acetate, log k1 (s-1) = (12.42 +/- 0.19) - (154.1 +/- 1.9) kJ mol-1 (2.303 RT)-1; for 2-methyl-2-acetoxy-4-phenylbutane, log k1 (s-1) = (11.97 +/- 0.55) - (151.5 +/-5.6) kJ mol-1 (2.303 RT)-1.The effectof substituents in the gas-phase elimination of 2-substituted 2-propyl acetates may be either electronic or steric in nature.The linear correlations for electron-releasing groups and for electron-withdrawing groups are presented and discussed.The results of the present work together with those reported in the literature lead to the establishment of a possible generalization on the influence of substituents at the alcohols side of primary, secondary, and tertiary acetates pyrolyses in the gas phase.

PREPARATION OF ACETATE COMPOUNDS VIA A KETENE COMPOUND

The present invention relates to a method for preparing acetate compounds using ketene.

Dehydroxylation of alcohols for nucleophilic substitution

The Ph3P/ICH2CH2I system-promoted dehydroxylative substitution of alcohols was achieved to construct C-O, C-N, C-S and C-X (X = Cl, Br, and I) bonds. Compared with the previous approaches such as the Appel reaction and Mitsunobu reaction, this protocol offers some practical advantages such as safe operation and a convenient amination process.