3-Methylbenzoic acid
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
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
Precursor & DownStream
Precursor
DownStream
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%
Articles
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...