CAS 98-73-7|4-tert-Butylbenzoic acid
| Common Name | 4-tert-Butylbenzoic acid | ||
|---|---|---|---|
| CAS Number | 98-73-7 | Molecular Weight | 178.228 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 283.3±19.0 °C at 760 mmHg |
| Molecular Formula | C11H14O2 | Melting Point | 162-165 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 134.9±16.2 °C |
| Symbol | GHS06 | Signal Word | Danger |
Names
| Name | 4-tert-Butylbenzoic acid |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 283.3±19.0 °C at 760 mmHg |
| Melting Point | 162-165 °C(lit.) |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.228 |
| Flash Point | 134.9±16.2 °C |
| Exact Mass | 178.099380 |
| PSA | 37.30000 |
| LogP | 3.58 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.524 |
| InChIKey | KDVYCTOWXSLNNI-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(C(=O)O)cc1 |
| Water Solubility | 0.07 g/L (20 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 700 mg/kg
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression Skin and Appendages - hair
- REFERENCE :
- TSCAT* Office of Toxic Substances Report. (U.S. Environmental Protection Agency, Office of Toxic Substances, 401 M St., SW, Washington, DC 20460) Volume(issue)/page/year: OTS0510267
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >1900 mg/m3/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0382-0440S ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- DOSE :
- 106 mg/m3/6H
- SEX/DURATION :
- male 7 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
- REFERENCE :
- JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 6(2),233,1987
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- DOSE :
- 12500 ug/m3/6H
- SEX/DURATION :
- male 7 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)
- REFERENCE :
- JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 6(2),233,1987
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- DOSE :
- 4550 mg/kg
- SEX/DURATION :
- male 65 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct
- REFERENCE :
- TOXID9 Toxicologist. (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway, Akron, OH 44311) V.1- 1981- Volume(issue)/page/year: 4,146,1984
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- DOSE :
- 2450 mg/kg
- SEX/DURATION :
- male 7 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - other effects on male
- REFERENCE :
- JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 6(2),233,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83738 No. of Facilities: 1197 (estimated) No. of Industries: 35 No. of Occupations: 30 No. of Employees: 23484 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83738 No. of Facilities: 45 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 4322 (estimated) No. of Female Employees: 356 (estimated)
Safety Information
| Symbol | GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302 + H332-H311 |
| Precautionary Statements | P280-P312 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | T:Toxic |
| Risk Phrases | R20/22;R24;R48/20/21/22;R51/53;R62 |
| Safety Phrases | S22-S24/25-S61-S45-S36/37/39-S28A |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | DG4708000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| 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% |
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Synonyms
| Methyl 4-tert-butylbenzoate |
| 4-tert-Bu-lbenzoic acid |
| para-tert-butylbenzoic acid |
| 4-t-Bu-benzoic acid |
| p-t-butylbenzoic acid |
| TBBA |
| 4-tert-butyl-benzoic acid |
| Benzoic acid,p-tert-butyl |
| 4-(1,1-dimethylethyl)-benzoic acid |
| EINECS 202-696-3 |
| Benzoic acid,4-tert-butyl |
| 4-t-Butylbenzoic acid |
| P-TERT-BUTYLBENZOIC ACID |
| MFCD00002563 |
