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
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
[InChIKey]

QWBQBUWZZBUFHN-UHFFFAOYSA-N
[SMILES]

CC(C)CCOC(=O)Cc1ccccc1
[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
[TSCA ]

TSCA listed
[HS Code ]

2915.90.2000
[REACH Registrations]

Active
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Skin Irrit. 2
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.
[Uses]

Used in Carnation and other perfume compositions for its sweetness, fruity, almost rosy notes, delicate floralness and good performance in talcum and other functional products. Finds extensive use in flavor compositions for imitation Butter, Chocolate, Cocoa, Honey, Licorice, Peach, etc. With traces of Castoreum, il introduces interesting effects in Cocoa, and Anethole gives naturalness to Licorice flavoring. Due to its high boiling point, it performs excellently in baked goods.
[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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