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Merck
CN

W287814

Phenylacetic acid

natural, ≥99%

Synonym(s):

α-Toluic acid, α-Tolylic acid, Benzeneacetic acid, PAA

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About This Item

Linear Formula:
C6H5CH2CO2H
CAS Number:
103-82-2
Molecular Weight:
136.15
PubChem Substance ID:
24901369
UNSPSC Code:
12164502
Council of Europe no.:
672c
FEMA Number:
2878
Flavis number:
8.038
EC Number:
203-148-6
MDL number:
MFCD00004313
Beilstein/REAXYS Number:
1099647

Key Documents

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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

SMILES string

OC(=O)Cc1ccccc1

grade

natural

vapor density

~4 (vs air)

vapor pressure

1 mmHg ( 97 °C)

assay

≥99%

color

white

bp

265 °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

organoleptic

cheese; chocolate; green; honey; meaty; musty; herbaceous; raspberry; rose; strawberry; vanilla; wine-like

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General description

Natural occurrence: Guava, wines, papaya, raspberry, strawberry, potato, tomato, gruyere, Swiss and cheddar cheeses, mango, passion fruit, honey and tea.
Phenylacetic acid is a volatile acid that is reported to occur in balsamic vinegar and cocoa powder.

Biochem/physiol Actions

Taste at 50 ppm
Odor at 1.0%

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319

Hazard Classifications

Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

269.6 °F - closed cup

flash_point_c

132 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBJ1109V
MKBR4065V
MKBQ5613V
MKBJ5517V
MKBH6959V

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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)
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)
Gustav Nyström et al.
Nature communications, 6, 7259-7259 (2015-05-30)
Traditional thin-film energy-storage devices consist of stacked layers of active films on two-dimensional substrates and do not exploit the third dimension. Fully three-dimensional thin-film devices would allow energy storage in bulk materials with arbitrary form factors and with mechanical properties
D C Singleton et al.
Oncogene, 34(36), 4713-4722 (2014-12-09)
Hypoxia is a common feature of locally advanced breast cancers that is associated with increased metastasis and poorer survival. Stabilisation of hypoxia-inducible factor-1α (HIF1α) in tumours causes transcriptional changes in numerous genes that function at distinct stages of the metastatic
L Ren et al.
Nanotechnology, 26(28), 284001-284001 (2015-06-27)
The prospect for spatial imaging with mass spectroscopy at the level of the cell requires new means of cell extraction to conserve molecular structure. To this aim, we demonstrate a new laser extraction process capable of extracting intact biological entities
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