Benzilic acid

Names

[ CAS No. ]:
76-93-7

[ Name ]:
Benzilic acid

[Synonym ]:
2-hydroxy-2,2-diphenylacetic acid
Benzylic acid
EINECS 200-993-2
Benzeneacetic acid, α-hydroxy-α-phenyl-
Benzilic acid
2-hydroxy-2,2-diphenylethanoic acid
Diphenylhydroxyacetic acid
2,2-diphenyl-2-hydroxyethanoic acid
Diphenylglycolic acid
4-10-00-01256 (Beilstein Handbook Reference)
2,2-Diphenyl-2-hydroxyacetic acid
2,2-Diphenyl-2-hydroxy acetate
Hydroxy(diphenyl)acetic acid
Glycolic acid,diphenyl
MFCD00004447
a-Hydroxy-a-phenylbenzeneacetic Acid
α-Hydroxy-2,2-diphenylacetic acid

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
409.0±40.0 °C at 760 mmHg

[ Melting Point ]:
149-151 °C(lit.)

[ Molecular Formula ]:
C₁₄H₁₂O₃

[ Molecular Weight ]:
228.243

[ Flash Point ]:
215.3±23.8 °C

[ Exact Mass ]:
228.078644

[ PSA ]:
57.53000

[ LogP ]:
3.03

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.623

[ Stability ]:
Stable. Incompatible with strong oxidizing agents. Combustible.

[ Water Solubility ]:
1.41 g/L (25 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DD2064000

CHEMICAL NAME :: Benzilic acid

CAS REGISTRY NUMBER :: 76-93-7

BEILSTEIN REFERENCE NO. :: 0521402

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C14-H12-O3

MOLECULAR WEIGHT :: 228.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 116,154,1958

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1300 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 116,154,1958

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Precautionary Statements ]:
P301 + P312 + P330

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S36-S36/37/39-S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DD2064000

[ HS Code ]:
29181980

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 29181980

Articles

Molecular modifications on carboxylic acid derivatives as potent histone deacetylase inhibitors: Activity and docking studies.

Bioorg. Med. Chem. 17 , 5219-28, (2009)

In the light of known HDAC inhibitors, 33 carboxylic acid derivatives were tested to understand the structural requirements for HDAC inhibition activity. Several modifications were applied to develop ...