ChemicalBook--->CAS DataBase List--->102-19-2

102-19-2

102-19-2 Structure

102-19-2 Structure
IdentificationMore
[Name]

Isopentyl phenylacetate
[CAS]

102-19-2
[Synonyms]

3-METHYLBUTYL PHENYLACETATE
AMYL PHENYL ACETATE
FEMA 2081
ISOAMYL ALPHA-TOLUATE
ISOAMYL PHENYLACETATE
ISOPENTYL PHENYLACETATE
METHYL BUTYL PHENYL ACETATE
PHENYLACETIC ACID ISOAMYL ESTER
PHENYLACETIC ACID ISOPENTYL ESTER
Benzeneacetic acid, 3-methylbutyl ester
Benzeneaceticacid,3-methylbutylester
isopentyl
Isopentyl alcohol, phenylacetate
Phenylacetic acid, 3-methylbutyl ester
phenylaceticacid3-methylbutylester
phenyl-aceticaciisopentylester
ISOAMYL-PHENYLACETAT
Isopentylphenylacetat
ISOAMYL PHENYL ACETATE, NATURAL
Isoamyl plaenylacetate
[EINECS(EC#)]

203-012-6
[Molecular Formula]

C13H18O2
[MDL Number]

MFCD00026517
[Molecular Weight]

206.28
[MOL File]

102-19-2.mol
Chemical PropertiesBack Directory
[Boiling point ]

268 °C(lit.)
[density ]

0.98
[vapor pressure ]

0.907Pa at 25℃
[FEMA ]

2081
[refractive index ]

n20/D 1.485(lit.)
[Fp ]

>230 °F
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 10.00 % in dipropylene glycol. sweet honey cocoa balsam chocolate castoreum animal
[Odor Type]

chocolate
[Water Solubility ]

63.049mg/L at 25℃
[JECFA Number]

1014
[LogP]

4.08 at 25℃
[CAS DataBase Reference]

102-19-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Acetic acid, phenyl-, isopentyl ester(102-19-2)
[EPA Substance Registry System]

102-19-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R38:Irritating to the 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 ]

AJ2945000
[HS Code ]

2915.90.2000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen-->3-Methyl-1-butanol-->Phenylacetic acid
Hazard InformationBack Directory
[Description]

Isoamyl phenylacetate has a sweet, pleasant odor reminiscent of cocoa with a slight birch-tar undertone. May be prepared by esterification of phenylacetic acid with isoamyl alcohol in the presence of concentrated sulfuric acid; by heating benzyl nitrile and isoamyl alcohol in the presence of excess concentrated H2S04.
[Chemical Properties]

Isoamyl phenylacetate has a sweet, pleasant odor reminiscent of cocoa with a slight birch-tar undertone
[Occurrence]

Reported found in peppermint oil.
[Definition]

ChEBI: 3-Methylbutyl phenylacetate is a member of benzenes.
[Preparation]

By esterification of phenylacetic acid with isoamyl alcohol in the presence of concentrated sulfuric acid; by heating benzyl nitrile and isoamyl alcohol in the presence of excess concentrated H2SO4
[Aroma threshold values]

Aroma characteristics at 1%: sweet, honey, chocolate with a rosy floral nuance.
[Taste threshold values]

Taste characteristics at 5 to 10 ppm: warm rosy honey with phenyl chocolate nuances and dried fruit notes.
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

Isopentyl phenylacetate(102-19-2)MS
Isopentyl phenylacetate(102-19-2)1HNMR
Isopentyl phenylacetate(102-19-2)13CNMR
Isopentyl phenylacetate(102-19-2)IR1
Isopentyl phenylacetate(102-19-2)IR2
Isopentyl phenylacetate(102-19-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

102-19-2(sigmaaldrich)
[TCI AMERICA]

Isoamyl Phenylacetate,>97.0%(GC)(102-19-2)
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