ChemicalBook--->CAS DataBase List--->90-27-7

90-27-7

90-27-7 Structure

90-27-7 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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
[REACH Registrations]

Active
[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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Propanone, 1-phenyl-, one-->2-Phenylbutyronitrile-->trans-beta-Methylstyrene-->β-Methylstyrene-->2-Phenylbutyric acid anhydride-->n-Propylbenzene
[Preparation Products]

2-(4-Nitrophenyl)butyric acid-->α-(p-Aminophenyl)butyric acid-->2-Benzylpropionic acid-->(R)-(-)-2-Phenylbutyric acid-->2-Phenylbutyryl chloride-->(S)-(+)-2-Phenylbutyric acid-->Butamirate Impurity 1
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

alpha-Ethylphenylacetic acid(90-27-7).msds
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Phenylbutyric acid(90-27-7)MS
2-Phenylbutyric acid(90-27-7)1HNMR
2-Phenylbutyric acid(90-27-7)13CNMR
2-Phenylbutyric acid(90-27-7)IR1
2-Phenylbutyric acid(90-27-7)IR2
2-Phenylbutyric acid(90-27-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Phenylbutyric acid, 98%(90-27-7)
[Alfa Aesar]

(+/-)-2-Phenylbutyric acid, 98%(90-27-7)
[Sigma Aldrich]

90-27-7(sigmaaldrich)
[TCI AMERICA]

2-Phenylbutyric Acid,>98.0%(GC)(T)(90-27-7)
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