| Identification | More | [Name]
2-Phenylbutyric acid | [CAS]
90-27-7 | [Synonyms]
2-ETHYL-2-PHENYLACETIC ACID
2-PHENYLBUTANOIC ACID
(+/-)-2-PHENYLBUTYRIC ACID
2-PHENYLBUTYRIC ACID
2-PHENYL-N-BUTYRIC ACID
A-ETHYLPHENYLACETIC ACID
AKOS BBS-00006483
ALPHA-ETHYLPHENYLACETIC ACID
ALPHA-PHENYL-N-BUTYRIC ACID
A-PHENYLETHYLACETIC ACID
AURORA KA-7220
RARECHEM AL BO 0093
2-phenyl-butyricaci
alpha-Phenylbutyric acid
alpha-phenylbutyricacid
alpha-Toluic acid, alpha-ethyl-
Butyric acid, 2-phenyl-
2-Phenylbutyric acidAV23224
2-PhenylButyricAcid99%
2-Phenylbutyricacid,98% | [EINECS(EC#)]
201-982-5 | [Molecular Formula]
C10H12O2 | [MDL Number]
MFCD00002667 | [Molecular Weight]
164.2 | [MOL File]
90-27-7.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE TO YELLOWISH ADHERING CRYSTALS | [Melting point ]
39-42 °C (lit.) | [Boiling point ]
270-272 °C (lit.) | [density ]
0,62 g/cm3 | [refractive index ]
1.5150 | [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
4.34±0.10(Predicted) | [color ]
White adhering crystalline powder | [Optical Rotation]
3.1976°(C=1.0039g/100ml CHCL3) | [Water Solubility ]
insoluble | [Detection Methods]
HPLC,NMR | [BRN ]
509876 | [InChI]
1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12) | [InChIKey]
OFJWFSNDPCAWDK-UHFFFAOYSA-N | [SMILES]
CCC(C(O)=O)c1ccccc1 | [CAS DataBase Reference]
90-27-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzeneacetic acid, «alpha»-ethyl-(90-27-7) | [EPA Substance Registry System]
90-27-7(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302 | [Precautionary statements ]
P264-P270-P301+P312-P501 | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S22:Do not breathe dust .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [RTECS ]
ET5957500
| [TSCA ]
Yes | [HS Code ]
29163900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral | [Toxicity]
LD50 orl-mus: 1154 mg/kg BCFAAI 100,143,61 |
| Hazard Information | Back Directory | [Chemical Properties]
WHITE TO YELLOWISH ADHERING CRYSTALS | [Uses]
2-Phenylbutyric Acid is a metabolite of Butamirate. | [Uses]
A metabolite of Butamirate. | [Uses]
antihyperlipidemic | [Definition]
ChEBI: A monocarboxylic acid that is butyric acid substituted by a phenyl group at position 2. | [Synthesis Reference(s)]
Chemical and Pharmaceutical Bulletin, 31, p. 2564, 1983 DOI: 10.1248/cpb.31.2564 | [Safety Profile]
Poison by intravenous route. Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. |
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