1-Phenylethyl acetate
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1-Phenylethyl acetate
structure -
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CAS No:
93-92-5
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Formula:
C10H12O2
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Chemical Name:
1-Phenylethyl acetate
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Synonyms:
Benzenemethanol,α-methyl-,1-acetate;Benzyl alcohol,α-methyl-,acetate;Benzenemethanol,α-methyl-,acetate;Gardeniol II;Gardenol;α-Methylbenzyl acetate;α-Methylbenzyl alcohol,acetate;Methyl phenyl carbinyl acetate;sec-Phenylethyl acetate;α-Phenylethyl acetate;1-Phenylethyl acetate;Methylphenylcarbinol acetate;sec-Phenethyl acetate;Styrallyl acetate;Styrylallyl acetate;α-Phenethyl acetate;1-Acetoxy-1-phenylethane;(±)-α-Phenethyl acetate;dl-1-Phenylethyl acetate;(±)-Styrallyl acetate;α-Methylbenzenemethanol acetate;(±)-α-Methylbenzyl acetate;NSC 2397;1335-75-7;50373-55-2
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CAS No:
Description
α-Methylbenzyl acetate has an intensive green odor suggestive of gardenia and a bitter, acrid taste, interesting on dilution. CLEAR COLOURLESS TO PALE YELLOWISH LIQUID
Liquid|colourless liquid with a powerful sweet floral-fruity, herbaceous odour|colourless liquid with a powerful green-floral odour
1-Phenylethyl acetate is a carboxylic ester. It derives from a benzyl alcohol.
Characteristics
26.3
2
Liquid
1.0715 g/cm3 @ Temp: 25 °C
-60°C
222 °C
196 °F
1.499
insoluble in water; soluble in organic solvents, oils
Store below +30°C.
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
Safety Information
NA 1993 / PGIII
1
24/25
DO9410000
Stable at room temperature in closed containers under normal storage and handling conditions.
1-Phenylethyl acetate Use and Manufacturing
It is obtained by acetylation of methyl phenyl alcohol. It is formed by the reaction of benzaldehyde with methylmagnesium bromide and then acetylation. Derived from the esterification of phenylethanol and acetic anhydride.
It is an important spice for blending gardenia and tuberose. Appropriate amount for jasmine, hyacinth, lily of the valley, lilac, magnolia type. It is used in a small amount to enhance the fragrance and fragrance. In modern fragrances, as the top fragrance, very good results can be obtained. Widely used in edible flavors, especially those with ~~"sharp~~" fruit flavors, such as apple, pineapple and other flavors.
Odor agents
Air care products
100,000 - 500,000 lb
All other chemical product and preparation manufacturing|Benzenemethanol, .alpha.-methyl-, 1-acetate: ACTIVE
Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:164.20
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:148
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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