ChemicalBook--->CAS DataBase List--->103-52-6

103-52-6

103-52-6 Structure

103-52-6 Structure
IdentificationMore
[Name]

Phenethyl butyrate
[CAS]

103-52-6
[Synonyms]

2-PHENYLETHYL BUTANOATE
benzylcarbinyl butyrate
BETA-PHENETHYL N-BUTANOATE
BETA-PHENYLETHYL BUTYRATE
BETA PHENYL ETHYL N-BUTYRATE
B-PHENYLETHYL BUTYRATE
FEMA 2861
PHENETHYL BUTYRATE
PHENYLETHYL BUTYRATE
PHENYL ETHYL N-BUTYRATE
2-Phenethyl butanoate
2-phenethylbutanoate
2-phenylethylbutyrate
Butanoic acid, 2-phenylethyl ester
Butanoicacid,2-phenylethylester
Butyric acid, phenethyl ester
butyricacid,phenethylester
Phenethyl butanoate
PHENETHYL BUTYRATE 98+% FCC
Phenethyl-n-butyrate
[EINECS(EC#)]

203-119-8
[Molecular Formula]

C12H16O2
[MDL Number]

MFCD00048718
[Molecular Weight]

192.25
[MOL File]

103-52-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

260 °C (lit.)
[density ]

0.994 g/mL at 25 °C(lit.)
[vapor pressure ]

11.45Pa at 25℃
[FEMA ]

2861
[refractive index ]

n20/D 1.49(lit.)
[Fp ]

>230 °F
[Specific Gravity]

0.994
[Odor]

at 100.00 %. musty sweet floral yeast strawberry
[biological source]

synthetic
[Odor Type]

floral
[Water Solubility ]

1.159g/L at 30℃
[JECFA Number]

991
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
[InChIKey]

WFNDDSQUKATKNX-UHFFFAOYSA-N
[SMILES]

CCCC(=O)OCCc1ccccc1
[LogP]

2.49 at 25℃
[CAS DataBase Reference]

103-52-6(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Phenylethyl butyrate(103-52-6)
[EPA Substance Registry System]

103-52-6(EPA Substance)
Safety DataBack Directory
[WGK Germany ]

2
[RTECS ]

ET5956200
[TSCA ]

TSCA listed
[REACH Registrations]

Inactive
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Phenethyl alcohol-->Butyric Acid
Hazard InformationBack Directory
[Chemical Properties]

Phenethyl butyrate has a rose-like fragrance and a sweet taste, suggestive of honey. It is not as stable as the isobutyrate. This compound is also reported as having a strawberry, grape, sweet, floral aroma.
[Occurrence]

Reported found in passion fruit, grapes, strawberry, peppermint oil, mint, beer, cognac, rum, sherry, white wine, yellow passion fruit juice, apple brandy, mountain papaya, lamb’s lettuce, Scotch spearmint oil, Camembert cheese, blue cheese, cider, wine and mango.
[Uses]

flavors and fragrances
[Definition]

ChEBI: The butanoate ester of 2-phenylethanol.
[Preparation]

By esterification of phenylethyl alcohol with n-butyric acid.
[Taste threshold values]

Taste characteristics at 25 ppm: fruity, floral, green, with a tropical winy nuance.
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

Phenethyl butyrate(103-52-6)MS
Phenethyl butyrate(103-52-6)1HNMR
Phenethyl butyrate(103-52-6)13CNMR
Phenethyl butyrate(103-52-6)IR1
Phenethyl butyrate(103-52-6)IR2
Phenethyl butyrate(103-52-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

103-52-6(sigmaaldrich)
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