Benzilic acid

Modify Date: 2025-08-21 16:35:15

Benzilic acid Structure
Benzilic acid structure
Common Name Benzilic acid
CAS Number 76-93-7 Molecular Weight 228.243
Density 1.3±0.1 g/cm3 Boiling Point 409.0±40.0 °C at 760 mmHg
Molecular Formula C14H12O3 Melting Point 149-151 °C(lit.)
MSDS Chinese USA Flash Point 215.3±23.8 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name benzilic acid
Synonym More Synonyms

 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
InChIKey UKXSKSHDVLQNKG-UHFFFAOYSA-N
SMILES O=C(O)C(O)(c1ccccc1)c1ccccc1
Stability Stable. Incompatible with strong oxidizing agents. Combustible.
Water Solubility 1.41 g/L (25 ºC)

 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
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

 Customs

HS Code 29181980

 Articles1

More 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 ...

 Benzilic acidBioassay

View more

Name: Experimentally measured binding affinity data (Ki) for protein-ligand complexes deriv...
Source: Shanghai Institute of Organic Chemistry
Target: N/A
External Id: PDBbind-Ki for protein-ligand complexes
Name: qHTS for Inhibitors of Polymerase Kappa
Source: NCGC
Target: DNA polymerase kappa [Homo sapiens]
External Id: PolK100
Name: Inhibition of HDAC in human Hela cells nuclear extracts assessed as residual activity...
Source: ChEMBL
Target: Histone deacetylase 5
External Id: CHEMBL1040171
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
Name: qHTS for Inhibitors of binding or entry into cells for Marburg Virus
Source: NCGC
Target: gene 4 small orf - Marburg virus
External Id: VSVM-OFFLINE
Name: qHTS for Inhibitors of binding or entry into cells for Lassa Virus
Source: NCGC
Target: N/A
External Id: VSVL-OFFLINE
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 Synonyms

2-hydroxy-2,2-diphenylacetic acid
Benzylic acid
EINECS 200-993-2
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
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