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


45-116807-5G	5 g	$266.00 1/EAAdd To Favorites	Add To Favorites
45-116807-25G	25 g	$0.00 1/EA CALL FOR PRICEAdd To Favorites	Add To Favorites

assay	98%
bp	170-172 °C/20 mmHg (lit.)
density	1.515 g/mL at 25 °C (lit.)
form	solid
functional group	carboxylic acid
	phenyl
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