CAS 128-39-2|2,6-Di-tert-butylphenol
| Common Name | 2,6-Di-tert-butylphenol | ||
|---|---|---|---|
| CAS Number | 128-39-2 | Molecular Weight | 206.324 |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 251.4±9.0 °C at 760 mmHg |
| Molecular Formula | C14H22O | Melting Point | 34-37 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 118.3±0.0 °C |
| Symbol | GHS07, GHS09 | Signal Word | Warning |
Names
| Name | 2,6-Di-tert-butylphenol |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 251.4±9.0 °C at 760 mmHg |
| Melting Point | 34-37 °C(lit.) |
| Molecular Formula | C14H22O |
| Molecular Weight | 206.324 |
| Flash Point | 118.3±0.0 °C |
| Exact Mass | 206.167068 |
| PSA | 20.23000 |
| LogP | 4.86 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.499 |
| InChIKey | DKCPKDPYUFEZCP-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1cccc(C(C)(C)C)c1O |
| Storage condition | 2-8°C |
| Stability | Stable. Incompatible with acid chlorides, acid anhydrides, bases, brass, copper, copper alloys, oxidizing agents. |
| Water Solubility | insoluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0526583
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 120 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: 23,1350,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0526583
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0526583 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 19708 mg/kg/3W-C
- TOXIC EFFECTS :
- Gastrointestinal - hypermotility, diarrhea Blood - change in clotting factors Related to Chronic Data - death
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 46,811,1978
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 12480 ng/kg/12D-C
- TOXIC EFFECTS :
- Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases
- REFERENCE :
- BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year: 45,935,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M4376 No. of Facilities: 196 (estimated) No. of Industries: 9 No. of Occupations: 12 No. of Employees: 2192 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M4376 No. of Facilities: 13899 (estimated) No. of Industries: 175 No. of Occupations: 97 No. of Employees: 365623 (estimated) No. of Female Employees: 72928 (estimated)
Safety Information
| Symbol | GHS07, GHS09 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H410 |
| Precautionary Statements | P273-P501 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful;N:Dangerousfortheenvironment; |
| Risk Phrases | R22;R51/53 |
| Safety Phrases | S26-S36-S61-S29 |
| RIDADR | UN 3145 8/PG 3 |
| WGK Germany | 2 |
| RTECS | SK8265000 |
| Packaging Group | III |
| Hazard Class | 9 |
| HS Code | 2907199090 |
Preparation
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% |
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| Antioxidant activity of propofol and related monomeric and dimeric compounds. Chem. Pharm. Bull. 53(3) , 344-6, (2005) This study was carried out to investigate the antioxidant activity of propofol (2,6-diisopropylphenol) and its related compounds, butylated hydroxyanisole (BHA), 2,6-dimethylphenol, 2,6-di-t-butylphen... |
Synonyms
| MFCD00008820 |
| Phenol, 2,6-bis(1,1-dimethylethyl)- |
| 2,6-Bis(2-methyl-2-propanyl)phenol |
| EINECS 204-884-0 |
| 2,6-bis(1,1-Dimethylethyl)phenol |
| 2,6-ditert-butylphenol |
| 2,6-Di-tert-butylphenol |
