8.20993
Phenylacetic acid
for synthesis
Synonym(s):
Phenylacetic acid
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About This Item
Empirical Formula (Hill Notation):
C8H8O2
CAS Number:
Molecular Weight:
136.15
UNSPSC Code:
12352106
EC Index Number:
203-148-6
NACRES:
NA.22
MDL number:
Assay:
≥99.0% (HPLC)
Form:
solid
vapor pressure
1.33 hPa ( 97 °C)
Quality Segment
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
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
Melting range (lower value): ≥ 74 °C
Melting range (upper value): ≤ 77 °C
Identity (IR): passes test
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 1
flash_point_f
269.6 °F
flash_point_c
132 °C
Certificates of Analysis (COA)
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