8.20993

Phenylacetic acid

for synthesis

• Synonym(s): Phenylacetic acid
• Empirical Formula (Hill Notation): C₈H₈O₂
• CAS Number: 103-82-2
• Molecular Weight: 136.15
• UNSPSC Code: 12352106
• EC Index Number: 203-148-6
• NACRES: NA.22
• MDL number: MFCD00004313
• Assay: ≥99.0% (HPLC)
• Form: solid

Properties

• vapor pressure: 1.33 hPa ( 97 °C)
• Quality Segment: 200
• assay: ≥99.0% (HPLC)
• form: solid
• potency: >5000 mg/kg LD₅₀, oral (Rat), >5000 mg/kg LD₅₀, skin (Rabbit)
• bp: 265 °C/1013 hPa
• mp: 74-77 °C
• transition temp: flash point 132 °C
• solubility: 1.58 g/L
• density: 1.091 g/cm³ at 97 °C
• storage temp.: 2-30°C
• 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

Description

Analysis Note

Assay (HPLC, area%): ≥ 99.0 % (a/a)
Melting range (lower value): ≥ 74 °C
Melting range (upper value): ≤ 77 °C
Identity (IR): passes test

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H319
• pcodes: P264 - P280 - P305 + P351 + P338 - P337 + P313
• Hazard Classifications: Eye Irrit. 2
• Storage Class: 11 - Combustible Solids
• wgk: WGK 1
• flash_point_f: 269.6 °F
• flash_point_c: 132 °C