4-tert-Butylphenol
Suppliers
Names
[ CAS No. ]:
98-54-4
[ Name ]:
4-tert-Butylphenol
[Synonym ]:
1-tert-Butyl-4-hydroxybenzene
QR DX1&1&1
4-tert-Butylphenol
Phenol, 4-(1,1-dimethylethyl)-
MFCD00002367
4-(2-Methyl-2-propanyl)phenol
p-tert-butylphenol
EINECS 202-679-0
Chemical & Physical Properties
[ Density]:
1.0±0.1 g/cm3
[ Boiling Point ]:
233.7±9.0 °C at 760 mmHg
[ Melting Point ]:
96-101 °C(lit.)
[ Molecular Formula ]:
C10H14O
[ Molecular Weight ]:
150.218
[ Flash Point ]:
110.9±8.2 °C
[ Exact Mass ]:
150.104462
[ PSA ]:
20.23000
[ LogP ]:
3.17
[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C
[ Index of Refraction ]:
1.514
[ Stability ]:
Stable. Incompatible with copper, steel, bases, acid chlorides, acid anhydrides, oxidizing agents.
[ Water Solubility ]:
8.7 g/L (20 ºC)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- SJ8925000
- CHEMICAL NAME :
- Phenol, p-(tert-butyl)-
- CAS REGISTRY NUMBER :
- 98-54-4
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 22
- MOLECULAR FORMULA :
- C10-H14-O
- MOLECULAR WEIGHT :
- 150.24
- WISWESSER LINE NOTATION :
- QR DX1&1&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 11,43,1988
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,224,1986
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 11,43,1988
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,224,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3250 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5600 mg/m3/4H
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - respiratory depression Skin and Appendages - primary irritation (after topical exposure) Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 11,43,1988
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 78 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 :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2520 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 1500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(10),16,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 1580 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(10),16,1980 ** TUMORIGENIC DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - hamster
- DOSE/DURATION :
- 252 gm/kg/20W-C
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria Gastrointestinal - tumors
- REFERENCE :
- CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 7,1285,1986 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 10 ppm (60 mg/m3);STEL 20 ppm (120 mg/m3) JAN 1993 OEL-AUSTRIA:TWA 0.08 ppm (0.5 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 0.08 ppm (0.5 mg/m3);Skin JAN 1993 OEL-GERMANY:TWA 0.08 ppm (0.5 mg/m3);Skin JAN 1993 OEL-SWITZERLAND:TWA 0.08 ppm (0.5 mg/m3);STEL 0.4 ppm;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81915 No. of Facilities: 3505 (estimated) No. of Industries: 42 No. of Occupations: 40 No. of Employees: 29500 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81915 No. of Facilities: 4673 (estimated) No. of Industries: 55 No. of Occupations: 64 No. of Employees: 97601 (estimated) No. of Female Employees: 19779 (estimated)
Safety Information
[ Symbol ]:
GHS05, GHS08, GHS09
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H315-H318-H361f-H411
[ Precautionary Statements ]:
P201-P273-P280-P305 + P351 + P338 + P310-P308 + P313-P501
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves
[ Hazard Codes ]:
Xi:Irritant;N:Dangerousfortheenvironment;
[ Risk Phrases ]:
R37/38;R41;R51/53
[ Safety Phrases ]:
S26-S39-S61
[ RIDADR ]:
UN 3077 9/PG 3
[ WGK Germany ]:
2
[ RTECS ]:
SJ8925000
[ Packaging Group ]:
III
[ Hazard Class ]:
8
[ HS Code ]:
2907199090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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
Altern. Lab. Anim. 43 , 101-27, (2015)
The 7th Amendment to the EU Cosmetics Directive and the EU REACH Regulation have reinforced the need for in vitro ocular test methods. Validated in vitro ocular toxicity tests that can predict the hum...
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...
J. Med. Chem. 48 , 3269-79, (2005)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...