2,6-Di-tert-butylphenol
Names
[ CAS No. ]:
128-39-2
[ Name ]:
2,6-Di-tert-butylphenol
[Synonym ]:
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
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
[ Storage condition ]:
2-8°C
[ Stability ]:
Stable. Incompatible with acid chlorides, acid anhydrides, bases, brass, copper, copper alloys, oxidizing agents.
[ Water Solubility ]:
insoluble
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- SK8265000
- CHEMICAL NAME :
- Phenol, 2,6-di-tert-butyl-
- CAS REGISTRY NUMBER :
- 128-39-2
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 11
- MOLECULAR FORMULA :
- C14-H22-O
- MOLECULAR WEIGHT :
- 206.36
- WISWESSER LINE NOTATION :
- QR BX1&1&1 FX1&1&1
HEALTH HAZARD DATA
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
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%
Articles
J. Med. Chem. 48 , 7234-42, (2005)
In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspas...
Carbonic anhydrase inhibitors. Inhibition of human erythrocyte isozymes I and II with a series of antioxidant phenols.Bioorg. Med. Chem. 17 , 3207-11, (2009)
The inhibition of two human cytosolic carbonic anhydrase (hCA, EC 4.2.1.1) isozymes I and II, with a series of phenol derivatives was investigated by using the esterase assay, with 4-nitrophenyl aceta...
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...