2-Methylbenzoic acid

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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

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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

carbon monoxide
2-Bromotoluene
2-Methylbenzaldehyde
2-Methylacetophenone
Carbon dioxide
1,3,2-Dioxaborinane, 5,5-dimethyl-2-(2-methylphenyl)-
o-Toluoin
o-xylene
Methyl o-methylbenzoate

DownStream

tert-butyl 2-(bromomethyl)benzoate
5-Methoxy-2-methylbenzoic acid
5-Iodo-2-methylbenzoic acid
3-Iodo-2-methylbenzoic acid
3-Chloro-2-methylbenzoic acid
5-Chloro-2-methylbenzoic acid
2-methylbenzoyl cyanide
(4-chlorophenyl)-(2-methylphenyl)methanone
2-Methylbenzamide
3-(2-Methylphenyl)-3-oxopropanenitrile

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%

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