3-Methylbenzoic acid

Modify Date: 2024-01-02 12:38:31

3-Methylbenzoic acid Structure
3-Methylbenzoic acid structure
Common Name 3-Methylbenzoic acid
CAS Number 99-04-7 Molecular Weight 136.148
Density 1.2±0.1 g/cm3 Boiling Point 263.8±9.0 °C at 760 mmHg
Molecular Formula C8H8O2 Melting Point 108 °C
MSDS Chinese USA Flash Point 120.0±13.4 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name m-toluic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 263.8±9.0 °C at 760 mmHg
Melting Point 108 °C
Molecular Formula C8H8O2
Molecular Weight 136.148
Flash Point 120.0±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.
Water Solubility <0.1 g/100 mL at 19 ºC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XU1200000
CHEMICAL NAME :
m-Toluic acid
CAS REGISTRY NUMBER :
99-04-7
BEILSTEIN REFERENCE NO. :
0970526
LAST UPDATED :
199709
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C8-H8-O2
MOLECULAR WEIGHT :
136.16
WISWESSER LINE NOTATION :
QVR C1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Behavioral - excitement Gastrointestinal - nausea or vomiting
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 18(7),57,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1630 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory depression Gastrointestinal - nausea or vomiting
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 18(7),57,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
562 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 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
26 gm/kg
TOXIC EFFECTS :
Blood - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 18(7),57,1974

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R22
Safety Phrases S22-S24/25-S36
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS XU1200000
HS Code 29163900

 Synthetic Route

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles26

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Physical map of the aromatic amine and m-toluate catabolic plasmid pTDN1 in Pseudomonas putida: location of a unique meta-cleavage pathway.

J. Gen. Microbiol. 136(4) , 615-25, (1990)

A restriction endonuclease map was derived for the aromatic amine and m-toluate catabolic plasmid pTDN1 present in Pseudomonas putida UCC22, a derivative of P. putida mt-2. The plasmid is 79 +/- 1 kbp...

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J. Bacteriol. 184(15) , 4096-103, (2002)

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 Synonyms

3-Methyl-Benzoic Acid
3-toluic acid
m-Methylbenzoic Acid
Benzoic acid,3-methyl
m-toluenecarboxylic acid
Benzoic acid, 3-methyl-
m-toluic acid
meta-methylbenzoic acid
meta-Toluic acid
m-Toluylic acid
3-Me-Ph-COOH
EINECS 202-723-9
3-Methylbenzoic acid
MFCD00002523
5-methylbenzoic acid
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