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W288918

Sigma-Aldrich

3-Phenylpropionic acid

99%, FG

Synonym(s):

Hydrocinnamic acid, 3-Phenylpropionic acid, Benzylacetic acid

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About This Item

Linear Formula:
C6H5CH2CH2COOH
CAS Number:
501-52-0
Molecular Weight:
150.17
FEMA Number:
2889
Beilstein/REAXYS Number:
907515
EC Number:
207-924-5
Council of Europe no.:
32
MDL number:
MFCD00002771
UNSPSC Code:
12164502
PubChem Substance ID:
24901377
Flavis number:
8.032
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 872/2012
FDA 21 CFR 172.515

assay

99%

bp

280 °C (lit.)

mp

45-48 °C (lit.)

density

1.071 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

floral; rose; sweet

SMILES string

OC(=O)CCc1ccccc1

InChI

1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

InChI key

XMIIGOLPHOKFCH-UHFFFAOYSA-N

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General description

3-Phenylpropionic acid has been identified as a volatile constituent of grapes and Nam-pla fermented fish sauce.

Application


  • Metabolic signatures of β-cell destruction in type 1 diabetes.: This study investigates the metabolic changes associated with β-cell destruction in type 1 diabetes, highlighting the role of various metabolites, including 3-Phenylpropionic acid, in the disease pathology (Noso et al., 2023).

Storage Class

11 - Combustible Solids

wgk_germany

WGK 1

flash_point_f

230.0 °F

flash_point_c

110 °C

ppe

Eyeshields, Gloves, type N95 (US)

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Flavor of fermented fish sauce.
McIver RC, et al.
Journal of Agricultural and Food Chemistry, 30(6), 1017-1020 (1982)
Identification of volatile constituents from grapes.
Schreier P, et al.
Journal of Agricultural and Food Chemistry, 24(2), 331-336 (1976)
Astrid Barkleit et al.
Applied spectroscopy, 62(7), 798-802 (2008-10-22)
Uranyl complexes with phenylalanine and the analogous ligand phenylpropionate were investigated in aqueous solution by attenuated total reflection (ATR) Fourier transform infrared (FT-IR) spectroscopy. The assignment of the observed bands to vibrational modes was accomplished using spectra of the pure
Daibin Kuang et al.
Small (Weinheim an der Bergstrasse, Germany), 3(12), 2094-2102 (2007-11-22)
Efficient and stable mesoscopic dye-sensitized solar cells (DSCs) introducing a low-viscosity binary ionic liquid (1-propyl-3-methyl-imidazolium iodide (PMII) and 1-ethyl-3-methyl-imidazolium tetracyanoborate (EMIB(CN)(4))) electrolyte in combination with a new high-molar-extinction-coefficient ruthenium complex, Ru(2,2'-bipyridine-4,4'-dicarboxylic acid)(4,4'-bis(2-(4-tert-butyloxy -phenyl)ethenyl) -2,2'-bipyridine) (NCS)(2), are demonstrated. The dependence of
Marion Sander et al.
Planta, 233(6), 1157-1171 (2011-02-15)
cDNAs and genes encoding a hydroxycinnamoyl-CoA:hydroxyphenyllactate hydroxycinnamoyltransferase (CbRAS; rosmarinic acid synthase) and a hydroxycinnamoyl-CoA:shikimate hydroxycinnamoyltransferase (CbHST) were isolated from Coleus blumei Benth. (syn. Solenostemon scutellarioides (L.) Codd; Lamiaceae). The proteins were expressed in E. coli and the substrate specificity of
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