Introduction：Basic information about CAS 99-94-5|4-Methylbenzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Methylbenzoic acid |
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| CAS Number | 99-94-5 | Molecular Weight | 136.148 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 275.3±9.0 °C at 760 mmHg |
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| Molecular Formula | C8H8O2 | Melting Point | 179 °C |
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| MSDS | ChineseUSA | Flash Point | 124.7±13.4 °C |
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Names
| Name | p-toluic acid |
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| Synonym | More Synonyms |
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4-Methylbenzoic acid BiologicalActivity
| Description | p-Toluic acid (4-Methylbenzoic acid) is a substituted benzoic acid and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc. |
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| Related Catalog | Research Areas >>Others |
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| Target | Human Endogenous Metabolite |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 275.3±9.0 °C at 760 mmHg |
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| Melting Point | 179 °C |
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| Molecular Formula | C8H8O2 |
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| Molecular Weight | 136.148 |
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| Flash Point | 124.7±13.4 °C |
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| Exact Mass | 136.052429 |
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| PSA | 37.30000 |
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| LogP | 2.36 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.556 |
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| InChIKey | LPNBBFKOUUSUDB-UHFFFAOYSA-N |
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| SMILES | Cc1ccc(C(=O)O)cc1 |
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| Storage condition | Store at RT. |
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| Stability | Stable. Incompatible with strong oxidizing agents, strong bases. |
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| Water Solubility | <0.1 g/100 mL at 19 ºC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XU1575000
- CHEMICAL NAME :
- p-Toluic acid
- CAS REGISTRY NUMBER :
- 99-94-5
- BEILSTEIN REFERENCE NO. :
- 0507600
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C8-H8-O2
- MOLECULAR WEIGHT :
- 136.16
- WISWESSER LINE NOTATION :
- QVR D1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 874 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Cardiac - EKG changes not diagnostic of specified effects Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 12,1893,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2340 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Cardiac - EKG changes not diagnostic of specified effects Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 12,1893,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 916 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Cardiac - EKG changes not diagnostic of specified effects Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 12,1893,1978 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1917 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 4354 (estimated) No. of Female Employees: 729 (estimated)
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Hazard Codes | Xn:Harmful |
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| Risk Phrases | R22 |
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| Safety Phrases | S22-S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 1 |
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| RTECS | XU1575000 |
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| HS Code | 29163900 |
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Customs
| HS Code | 2916399090 |
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| 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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Synonyms
| Benzoic acid, 4-methyl- |
| 2PNS-Q06-0 |
| Crithminic acid |
| para-Toluic acid |
| p-Toluic acid |
| 4-Methyl-Benzoic Acid |
| 4'-methyl-2-biphenylsulphonyl chloride |
| Toluenecarboxylic acid |
| p-toluenebenzenesulfonyl chloride |
| p-Me-benzoic acid |
| EINECS 202-803-3 |
| p-methyl benzoic acid |
| p-toluenecarboxylic acid |
| p-Methylbenzoic Acid |
| 4'-Methylbiphenyl-2-sulfonyl chloride |
| MFCD00002565 |
| 4-TOLUIC ACID |
| 4-Methyl Benzoic acid |
| 4-Methylbenzoic acid |
| p-toluylic acid |
