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W287806

Sigma-Aldrich

Phenylacetic acid

≥99%, FCC, FG

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Synonym(s):
α-Toluic acid, α-Tolylic acid, Benzeneacetic acid, PAA
Linear Formula:
C6H5CH2CO2H
CAS Number:
103-82-2
Molecular Weight:
136.15
FEMA Number:
2878
Beilstein:
1099647
EC Number:
203-148-6
Council of Europe no.:
672
MDL number:
MFCD00004313
PubChem Substance ID:
24901368
Flavis number:
8.038
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 172.515

vapor density

~4 (vs air)

vapor pressure

1 mmHg ( 97 °C)

Assay

≥99%

bp

265 °C (lit.)

mp

76-78 °C (lit.)

density

1.081 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

green; honey; floral; sweet

SMILES string

OC(=O)Cc1ccccc1

InChI

1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)

InChI key

WLJVXDMOQOGPHL-UHFFFAOYSA-N

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General description

Phenylacetic acid is a volatile acid that is reported to occur in balsamic vinegar and cocoa powder.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H319

Hazard Classifications

Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

269.6 °F

Flash Point(C)

132 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

易制毒化学品（2类）

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Solid?phase extraction method for determination of volatile compounds in traditional balsamic vinegar.
Duran Guerrero E, et al.
Journal of Separation Science, 31(16?17), 3030-3036 (2008)
Thin-layer high-vacuum distillation to isolate volatile flavour compounds of cocoa powder.
Krings U, et al.
European Food Research and Technology, 223(5), 675-675 (2006)
Gustav Nyström et al.
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D C Singleton et al.
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L Ren et al.
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