ChemicalBook--->CAS DataBase List--->826-55-1

826-55-1

826-55-1 Structure

826-55-1 Structure
IdentificationMore
[Name]

2-Methyl-2-phenylpropionic acid
[CAS]

826-55-1
[Synonyms]

2,2-DIMETHYLPHENYLACETIC ACID
2-METHYL-2-PHENYLPROPIONIC ACID
2-PHENYLISOBUTYRIC ACID
A,A-DIMETHYLPHENYLACETIC ACID
A,A-DIMETHYLTOLUIC ACID
ALPHA,ALPHA-DIMETHYLPHENYLACETIC ACID
DIMETHYLBENZENEACETIC ACID
RARECHEM AL BO 1659
2-methyl-2-phenylpropanoic acid
α,α-Dimethylbenzene acid
à,à-dimethylphenylacetic acid
ɑ,ɑ-Dimethylphenylacetic acid
[EINECS(EC#)]

212-556-3
[Molecular Formula]

C10H12O2
[MDL Number]

MFCD00014332
[Molecular Weight]

164.2
[MOL File]

826-55-1.mol
Chemical PropertiesBack Directory
[Melting point ]

80-82°C
[Boiling point ]

146.5°C
[density ]

1.089±0.06 g/cm3(Predicted)
[Fp ]

146.5°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Crystalline
[pka]

4.39±0.10(Predicted)
[color ]

White
[Water Solubility ]

Insoluble in water.
[InChI]

InChI=1S/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)
[InChIKey]

YYEROYLAYAVZNW-UHFFFAOYSA-N
[SMILES]

C1(=CC=CC=C1)C(C)(C)C(=O)O
[LogP]

2.3 at 20℃
[CAS DataBase Reference]

826-55-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

WGK 1
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

2-Methyl-2-phenylpropionic acid is used in the synthesis of Fexofenadine hydrochloride
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 23, p. 1636, 1958 DOI: 10.1021/jo01105a014
Spectrum DetailBack Directory
[Spectrum Detail]

2-Phenylisobutyric acid(826-55-1)MS
2-Phenylisobutyric acid(826-55-1)1HNMR
2-Phenylisobutyric acid(826-55-1)13CNMR
2-Phenylisobutyric acid(826-55-1)IR1
2-Phenylisobutyric acid(826-55-1)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

alpha,alpha-Dimethylphenylacetic acid(826-55-1)
[TCI AMERICA]

2-Phenylisobutyric Acid,>98.0%(T)(826-55-1)
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