116807
3-Phenylbutyric acid
98%
Synonym(s):
(±)-3-Phenylbutyric acid, (±)-β-Methylhydrocinnamic acid
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About This Item
Linear Formula:
CH3CH(C6H5)CH2COOH
CAS Number:
Molecular Weight:
164.20
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
224-987-4
Beilstein/REAXYS Number:
2044322
MDL number:
Assay:
98%
Form:
solid
Quality Segment
assay
98%
form
solid
bp
170-172 °C/20 mmHg (lit.)
mp
35-38 °C (lit.)
density
1.515 g/mL at 25 °C (lit.)
functional group
carboxylic acid, phenyl
SMILES string
CC(CC(O)=O)c1ccccc1
InChI
1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
InChI key
ZZEWMYILWXCRHZ-UHFFFAOYSA-N
General description
3-Phenylbutyric acid is a metabolite of the oxidation of sec-octylbenzene.
Application
3-Phenylbutyric acid is used to isolate Rhodococcus rhodochrous PB1 from compost soil.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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