Диметилбензилкарбінілацетат

Identity

Dimethyl benzyl carbinyl acetate has the CAS number 151-05-3. Its molecular formula is C₁₂H₁₆O₂ and its molecular weight is 192.25 g/mol. Its IUPAC name is (2-methyl-1-phenylpropan-2-yl) acetate. The compound is the acetate of α,α-dimethylphenethyl alcohol and is recorded as an alkylbenzene. Its InChIKey is FLUWAIIVLCVEKF-UHFFFAOYSA-N.

Properties

It is soluble in mineral oil and most fixed oils, and insoluble in water. It is also soluble in ethanol. It has no hydrogen bond donors and two hydrogen bond acceptors. It boils at 249 to 251 °C and melts at about 30 °C. Its density is 0.995 to 1.002 and its refractive index is 1.490 to 1.495. Its computed XLogP3 is 2.7, it has four rotatable bonds, and its exact mass is 192.115 Da. Its Kovats retention index is 1297.5. A typical supplier specification gives an assay of 98 to 100 per cent and an acid value of 1.00 maximum.

Storage

Its shelf life is 24 months or longer if stored properly. It is stored in a cool, dry place in tightly sealed containers, protected from heat and light.

Regulation

The substance is REACH registered under the EC number 205-781-3. Its FEMA number is 2392. Its JECFA number is 1655, and the Joint FAO/WHO Expert Committee on Food Additives evaluated it in 2007 under the name 2-benzyl-2-propyl acetate. Manufacturers and importers must report their production and use of it to the EPA under the Toxic Substances Control Act. The IFRA Standards library, which stands at the 51st Amendment, holds no standard matching its CAS number or names.

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