| Identification | More | [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 Properties | Back 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 Data | Back 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. |
| Hazard Information | Back 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 |
|
|