CAS 99-04-7|3-Methylbenzoic acid
Introduction：Basic information about CAS 99-04-7|3-Methylbenzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| 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 | ChineseUSA | Flash Point | 120.0±13.4 °C |
| Symbol | 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 |
| InChIKey | GPSDUZXPYCFOSQ-UHFFFAOYSA-N |
| SMILES | Cc1cccc(C(=O)O)c1 |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Water Solubility | <0.1 g/100 mL at 19 ºC |
Toxicological Information
CHEMICAL IDENTIFICATION |
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 |
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
More Articles| The Design of Simple Bacterial Microarrays: Development towards Immobilizing Single Living Bacteria on Predefined Micro-Sized Spots on Patterned Surfaces. 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... |
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 |
