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118-90-1

118-90-1 structure
118-90-1 structure

Name o-toluic acid
Synonyms 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
Description o-Toluic acid (2-Methylbenzoic acid) is a benzoic acid substituted by a methyl group at position 2. O-Toluic acid plays a role as a xenobiotic metabolite.
Related Catalog
Target

IC50: xenobiotic metabolite

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

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
Symbol GHS07
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
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%