ChemicalBook--->CAS DataBase List--->122-43-0

122-43-0

122-43-0 Structure

122-43-0 Structure
IdentificationMore
[Name]

BUTYL PHENYLACETATE
[CAS]

122-43-0
[Synonyms]

BUTYL PHENYLACETATE
FEMA 2209
N-BUTYL PHENYLACETATE
PHENYLACETIC ACID BUTYL ESTER
Acetic acid, phenyl-, butyl ester
Benzeneaceticacid,butylester
Butyl benzene acetate
butylbenzeneacetate
phenyl-aceticacibutylester
Phenylethanoic acid butyl ester
phenylethanoicacidbutylester
BUTYL PHENYLACETATE 98+% FCC
Butylphenylacetat
2-Phenylacetic acid butyl ester
[EINECS(EC#)]

204-543-6
[Molecular Formula]

C12H16O2
[MDL Number]

MFCD00048774
[Molecular Weight]

192.25
[MOL File]

122-43-0.mol
Chemical PropertiesBack Directory
[Boiling point ]

133-135 °C15 mm Hg(lit.)
[density ]

0.99 g/mL at 25 °C(lit.)
[FEMA ]

2209
[refractive index ]

n20/D 1.49(lit.)
[Fp ]

>230 °F
[Odor]

at 100.00 %. rose honey chocolate
[biological source]

synthetic
[Odor Type]

honey
[JECFA Number]

1012
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
[InChIKey]

LDOXTQYWWYXYSQ-UHFFFAOYSA-N
[SMILES]

CCCCOC(=O)Cc1ccccc1
[LogP]

3.56
[CAS DataBase Reference]

122-43-0(CAS DataBase Reference)
[EPA Substance Registry System]

Benzeneacetic acid, butyl ester (122-43-0)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and 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 ]

AJ2480000
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Safety Profile]

Low toxicity by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
[Toxicity]

rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 21, Pg. 657, 1983.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Butanol-->Phenylacetic acid
[Preparation Products]

Trimethyl thiophosphate-->Phenylacetic acid isobutyl ester
Hazard InformationBack Directory
[Chemical Properties]

Butyl phenylacetate has pleasant rose- and honey-like odor.
[Occurrence]

Reported found in mountain papaya.
[Uses]

flavors and fragrances
[Definition]

ChEBI: Butyl phenylacetate is a member of benzenes.
[Preparation]

By direct esterification of the acid with n-butyl alcohol in the presence of gaseous HCl.
[Taste threshold values]

Taste characteristics at 5 ppm: honey, sweet, chocolate, floral and rose-like.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 39, p. 3318, 1974 DOI: 10.1021/jo00937a003
Tetrahedron Letters, 25, p. 3791, 1984 DOI: 10.1016/S0040-4039(01)91168-2
Spectrum DetailBack Directory
[Spectrum Detail]

BUTYL PHENYLACETATE(122-43-0)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

122-43-0(sigmaaldrich)
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