CAS 99-71-8|4-(2-Butyl)phenol
| Common Name | 4-(2-Butyl)phenol | ||
|---|---|---|---|
| CAS Number | 99-71-8 | Molecular Weight | 150.21800 |
| Density | 0.972g/cm3 | Boiling Point | 135-136 °C25 mm Hg(lit.) |
| Molecular Formula | C10H14O | Melting Point | 46-59 °C(lit.) |
| MSDS | USA | Flash Point | 240 °F |
| Symbol | GHS05, GHS09 | Signal Word | Danger |
Names
| Name | 4-sec-Butylphenol |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 0.972g/cm3 |
|---|---|
| Boiling Point | 135-136 °C25 mm Hg(lit.) |
| Melting Point | 46-59 °C(lit.) |
| Molecular Formula | C10H14O |
| Molecular Weight | 150.21800 |
| Flash Point | 240 °F |
| Exact Mass | 150.10400 |
| PSA | 20.23000 |
| LogP | 2.90570 |
| Index of Refraction | 1.5195 (20ºC) |
| InChIKey | ZUTYZAFDFLLILI-UHFFFAOYSA-N |
| SMILES | CCC(C)c1ccc(O)cc1 |
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 :
- 2450 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Lungs, Thorax, or Respiration - chronic pulmonary edema Gastrointestinal - other changes
- REFERENCE :
- SRTCAC Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. (Tohoku University, Research Institute for Tuberculosis and Cancer, 4-1 Seiryo-machi, Sendai, Japan) V.1- 1949- Volume(issue)/page/year: 36(1-4),10,1989
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 66 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- 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: 18,868,1975
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 40 mg/kg
- TOXIC EFFECTS :
- Behavioral - sleep
- 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: 23,1350,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1841 No. of Facilities: 688 (estimated) No. of Industries: 11 No. of Occupations: 11 No. of Employees: 19683 (estimated) No. of Female Employees: 4224 (estimated)
Safety Information
| Symbol | GHS05, GHS09 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H314-H400 |
| Precautionary Statements | P273-P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | C:Corrosive; |
| Risk Phrases | R34 |
| Safety Phrases | S26-S27-S28-S36/37/39-S45 |
| RIDADR | UN 2430 8/PG 2 |
| WGK Germany | 2 |
| RTECS | SJ8924000 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 2907199090 |
Customs
| HS Code | 2907199090 |
|---|---|
| Summary | 2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
Articles4
More Articles| Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins Bioorg. Med. Chem. 17 , 896-904, (2009) This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret... | |
| Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals. J. Med. Chem. 48 , 5666-74, (2005) We investigated the influence of induced fit of the androgen receptor binding pocket on free energies of ligand binding. On the basis of a novel alignment procedure using flexible docking, molecular d... | |
| Biotransformation of 4-sec-butylphenol by Gram-positive bacteria of the genera Mycobacterium and Nocardia including modifications on the alkyl chain and the hydroxyl group. Appl. Microbiol. Biotechnol. 97(18) , 8329-39, (2013) The environmental pollutant 4-sec-butylphenol (4-sec-BP) which possesses estrogenic properties was transformed by the aerobic Gram-positive bacteria Mycobacterium neoaurum and Nocardia cyriacigeorgica... |
Synonyms
| 4-butan-2-ylphenol |
| EINECS 202-781-5 |
| MFCD00002375 |
| 4-(2-Butyl)phenol |
