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3-Phenylbutyric acid

ALDRICH/116807 - 98%

Synonym: (±)-3-Phenylbutyric acid; (±)-β-Methylhydrocinnamic acid

CAS Number: 4593-90-2
Empirical Formula (Hill Notation): C10H12O2
Molecular Weight: 164.20
EC Number: 224-987-4
MDL Number: MFCD00002725
Linear Formula: CH3CH(C6H5)CH2COOH
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-116807-5G 5 g
 $258.00
1/EA		 Add To Favorites
45-116807-25G 25 g
 $348.00
1/EA		 Add To Favorites

 

assay 98%
bp 170-172 °C/20 mmHg (lit.)
density 1.515 g/mL at 25 °C (lit.)
form solid
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
mp 35-38 °C (lit.)
Quality Level 100 
SMILES string CC(CC(O)=O)c1ccccc1
Application: 3-Phenylbutyric acid is used to isolate Rhodococcus rhodochrous PB1 from compost soil.
General description: 3-Phenylbutyric acid is a metabolite of the oxidation of sec-octylbenzene.
Packaging: 5, 25 g in glass bottle
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity 98%
bp 170-172 °C/20 mmHg (lit.)
mp 35-38 °C (lit.)
Density 1.515 g/mL at 25 °C (lit.)
UNSPSC 12352100

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