2-Methylbenzoic acid
Names
[ CAS No. ]:
118-90-1
[ Name ]:
2-Methylbenzoic acid
[Synonym ]:
o-tolualdehyde diethyl acetal
o-Methylbenzoic Acid
2-toluic acid
Benzoic acid, 2-methyl-
Toluenecarboxylic acid
2-Methyl Benzoic acid
ortho methyl benzoic acid
2-Methyl-benzaldehyd-diethylacetal
o-Toluate
toluic acid
ortho-toluic acid
methylbenzoic acid
o-Toluic Acid
ortho-methylbenzoic acid
o-toluenecarboxylic acid
2-Methyl-benzaldehyd-diaethylacetal
EINECS 204-284-9
MFCD00002477
2-methyl-benzaldehyde diethylacetal
2-Methylbenzoic acid
Biological Activity
[Description]:
[Related Catalog]:
[Target]
IC50: xenobiotic metabolite
Chemical & Physical Properties
[ Density]:
1.2±0.1 g/cm3
[ Boiling Point ]:
260.9±9.0 °C at 760 mmHg
[ Melting Point ]:
103 °C
[ Molecular Formula ]:
C8H8O2
[ Molecular Weight ]:
136.148
[ Flash Point ]:
118.8±13.4 °C
[ Exact Mass ]:
136.052429
[ PSA ]:
37.30000
[ LogP ]:
2.36
[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C
[ Index of Refraction ]:
1.556
[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
[ Water Solubility ]:
<0.1 g/100 mL at 19 ºC
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XU1400000
- CHEMICAL NAME :
- o-Toluic acid
- CAS REGISTRY NUMBER :
- 118-90-1
- BEILSTEIN REFERENCE NO. :
- 1072103
- LAST UPDATED :
- 199707
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C8-H8-O2
- MOLECULAR WEIGHT :
- 136.16
- WISWESSER LINE NOTATION :
- QVR B1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 422 mg/kg
- TOXIC EFFECTS :
- Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1020,1968
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H315-H319-H335
[ Precautionary Statements ]:
P261-P305 + P351 + P338
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves
[ Hazard Codes ]:
Xn:Harmful
[ Risk Phrases ]:
R22
[ Safety Phrases ]:
S26-S36-S22
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ RTECS ]:
XU1400000
[ HS Code ]:
2916391000
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2916391000
[ Summary ]:
2916391000 2-methylbenzoic acid。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。Lowest tariff:6.5%。General tariff:30.0%
Articles
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Aspirin has been proposed in recent years as a candidate for chemoprevention of adenocarcinoma in patients with Barrett's esophagus. The aim of the present study was to evaluate the effect of acetylsa...
Protozoan ALKBH8 oxygenases display both DNA repair and tRNA modification activities.PLoS ONE 9(6) , e98729, (2014)
The ALKBH family of Fe(II) and 2-oxoglutarate dependent oxygenases comprises enzymes that display sequence homology to AlkB from E. coli, a DNA repair enzyme that uses an oxidative mechanism to dealky...
Oxidation of tolualdehydes to toluic acids catalyzed by cytochrome P450-dependent aldehyde oxygenase in the mouse liver.Drug Metab. Dispos. 23(2) , 261-5, (1995)
Mouse hepatic microsomal enzymes catalyzed the oxidation of o-, m-, and p-tolualdehydes, intermediate metabolites of xylene, to the corresponding toluic acids. Cofactor requirement for the catalytic a...