3-Methylbenzoic acid

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Names

[ CAS No. ]:
99-04-7

[ Name ]:
3-Methylbenzoic acid

[Synonym ]:
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

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

MSDS

Click to get detail MSDS

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

[ 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

m-Xylene
carbon monoxide
3-Bromotoluene
3-METHYLPHENYLZINC IODIDE
Carbon dioxide
3'-Methylacetophenone
3-Methylbenzyl alcohol
m-methylbenzenediazonium tetrafluoroborate
2-hydroxy-1-(3-methylphenyl)ethanone
3-Iodobenzoic acid

DownStream

4-amino-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
4-Methylphthalic acid
2-Nitro-5-methylbenzoic acid
3-Methyl-4-nitrobenzoic acid
3-Methyl-2-nitrobenzoic acid
3-methyl-2,6-dinitrobenzoic acid
Kayametone
2-Amino-3-methylbenzoic acid
3-(Chloromethyl)benzoic acid
methyl3-methyl-2-nitrobenzoate

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%

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PLoS ONE 10 , e0128162, (2015)

In this paper we demonstrate a procedure for preparing bacterial arrays that is fast, easy, and applicable in a standard molecular biology laboratory. Microcontact printing is used to deposit chemical...

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...

Reactivity of toluate dioxygenase with substituted benzoates and dioxygen.

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

Toluate dioxygenase (TADO) of Pseudomonas putida mt-2 catalyzes the dihydroxylation of a broad range of substituted benzoates. The two components of this enzyme were hyperexpressed and anaerobically p...