ChemicalBook--->CAS DataBase List--->10402-52-5

10402-52-5

10402-52-5 Structure

10402-52-5 Structure
IdentificationBack Directory
[Name]

2-Phenylpropyl acetate
[CAS]

10402-52-5
[Synonyms]

2-phenylpropyl
Hydratropic acetate
HYDRATROPYL ACETATE
2-Phenylpropylacetat
2-PHENYL PROPYL ACETATE
2-Phenyl-1-Propyl Acetate
2-Phenyl-1-propanol acetate
beta-methylphenylethylacetate
Acetic acid 2-phenylpropyl ester
2-Phenylpropyl acetate USP/EP/BP
beta-methyl-benzeneethanoacetate
beta-methyl-phenethylalcohoacetate
Acetic acid β-methylphenethyl ester
beta-Methylphenethyl alcohol acetate
Benzeneethanol, b-methyl-, 1-acetate
Benzeneethanol, β-methyl-, 1-acetate
Benzeneethanol,.beta.-methyl-,acetate
[EINECS(EC#)]

233-871-2
[Molecular Formula]

C11H14O2
[MDL Number]

MFCD00026344
[MOL File]

10402-52-5.mol
[Molecular Weight]

178.23
Chemical PropertiesBack Directory
[Boiling point ]

270.46°C (rough estimate)
[density ]

1.0292 (rough estimate)
[refractive index ]

1.5103 (estimate)
[color ]

A colourless liquid.
[Odor]

at 100.00 %. sweet hyacinth lilac green earthy
[Odor Type]

floral
[Cosmetics Ingredients Functions]

PERFUMING
[LogP]

2.652 (est)
[NIST Chemistry Reference]

Benzeneethanol, «beta»-methyl-, acetate(10402-52-5)
[EPA Substance Registry System]

Benzeneethanol, .beta.-methyl-, acetate (10402-52-5)
Safety DataBack Directory
[TSCA ]

TSCA listed
[Toxicity]

The acute oral LD50 value in rats was reported as 4.3g/kg (3.46-5.14 g/kg) and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1975).
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid. Sp.Gr. 1.07. Almost insoluble in water, soluble in alcohol, miscible with oils. Fairly soluble in Propylene glycol. Fresh-floral, powerful and fruity-green, slightly earthy-green odor more delicate than Phenylethylacetate, not as rosy, more Hyacinth-Lilac-like. Irsspite of its power, or rather “lift”, its effect is almost a delicate one, enabling the perfumer to use 2-4-6% of this ester in floral bases where green or greenearthy or spicy notes are already composed or called for.
[Occurrence]

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

ChEBI:2-Phenylpropyl acetate is a member of benzenes.
[Preparation]

By direct esterification of hydratropyl alcohol with acetic acid under azeotropic conditions, or with acetic anhydride (Arctander, 1969).
[Metabolism]

Racemic hydratropic acetate was asymmetrically hydrolysed by Bacillus subtilis var. niger to form ( — )-2-phenylpropanol and ( + )-2-phenylpropyl acetate (Oritani & Yamashita, 1973).
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