Phenylacetic acid is a monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group.
Definition
Phenylacetic acid is a monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. It has a role as an auxin, a toxin, a plant growth retardant, an allergen, a Saccharomyces cerevisiae metabolite, a plant metabolite, an Aspergillus metabolite, an Escherichia coli metabolite, a human metabolite and an EC 6.4.1.1 (pyruvate carboxylase) inhibitor. It is a member of benzenes, a monocarboxylic acid and a member of phenylacetic acids. It is functionally related to an acetic acid. It is a conjugate acid of a phenylacetate.
Source: PubChem
US FDA substance register · UNII ER5I1W795A · registered name Phenylacetic acid · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 103-82-2
- EC No.EU chemical inventory number
- 203-148-6
- DTXSIDUS EPA chemical ID
- DTXSID2021656
- DTXCIDUS EPA compound ID
- DTXCID201656
- IUPAC
- Phenylacetic acid
- Molecular formula
- C8H8O2
- Molecular weight
- 136.15 g/mol
Measured properties
- Appearance
- Shiny white solid with a floral odor, [Hawley] White crystalline solid, [MSDSonline] · Solid
- Odour
- Floral odor · Disagreeable odor of geranium
- Boiling point
- 265.5 deg at 760 mm Hg · Liquid, BP: 215 °C /Phenylacetic acid methyl ester/
- Melting point
- 76.7 °C · 76.5 °C
- Solubility
- In water, 1.73X10+4 mg/L at 25 °C · In water, 1.66X10+4 mg/L at 20 °C
- Density
- 1.091 at 77 °C/4 °C · Density (at 77 °C): 1.09 g/cm³
- Stability
- Stable under recommended storage conditions.
- pH
- Aqueous solutions of phenyl acetic acid are weakly acidic.
- Dissociation constant
- pKa = 4.31
- Colour
- white
- Melting/freezing point
- 76 ℃
- Initial boiling point and range
- 262 ℃
- Flash point
- 132 ℃
- Vapour pressure
- 1 ㎜Hg (at 97℃)
- Water solubility
- 16600 ㎎/ℓ
- Relative density
- 1.1
- n-Octanol/water partition coefficient (Kow)
- 1.41
- Auto-ignition temperature
- 1009.4 ℃
- Viscosity
- 3.54 cP (77 C)
- Molecular weight
- 136.14
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: PubChem · KOSHA safety data sheets (Korea)
What products actually use it for
What the 8 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Fragrance5
- Flavouring and nutrient2
- No specific technical function1
Source: US EPA CompTox dashboard
Related literature
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- Diclofenac in the treatment of pain in patients with rheumatic diseases · 2018
- Design and synthesis of the first generation of dithiolane thiazolidinedione- and phenylacetic acid-based PPARgamma agonists. · 2006
- Design and Synthesis of the First Generation of Dithiolane Thiazolidinedione- and Phenylacetic Acid-Based PPARγ Agonists · 2006
Linked databases 16
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem 2
- Tlooto literature search 2 3 4 5
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata
- Wikipedia · Korean · English · Japanese · Chinese