4-(tert-Butyl)cyclohexanol
Names
[ CAS No. ]:
98-52-2
[ Name ]:
4-(tert-Butyl)cyclohexanol
[Synonym ]:
p-tert-Butylcyclohexanol
4-(2-Methyl-2-propanyl)cyclohexanol
L6TJ AX1&1&1 DQ
Cyclohexanol, 4-(1,1-dimethylethyl)-
4-tert-Butylcyclohexanol
MFCD00001473
4-(1,1-Dimethylethyl)cyclohexanol
EINECS 202-676-4
Chemical & Physical Properties
[ Density]:
0.9±0.1 g/cm3
[ Boiling Point ]:
214.2±0.0 °C at 760 mmHg
[ Melting Point ]:
62-70 °C(lit.)
[ Molecular Formula ]:
C10H20O
[ Molecular Weight ]:
156.265
[ Flash Point ]:
105.0±0.0 °C
[ Exact Mass ]:
156.151413
[ PSA ]:
20.23000
[ LogP ]:
3.06
[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C
[ Index of Refraction ]:
1.471
[ Water Solubility ]:
<1 g/L (20 ºC)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GV8750000
- CHEMICAL NAME :
- Cyclohexanol, 4-tert-butyl-
- CAS REGISTRY NUMBER :
- 98-52-2
- BEILSTEIN REFERENCE NO. :
- 1902277
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C10-H20-O
- MOLECULAR WEIGHT :
- 156.30
- WISWESSER LINE NOTATION :
- L6TJ AX1&1&1 DQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,833,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50 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: AD277-689
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,833,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2870 No. of Facilities: 175 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 3506 (estimated) No. of Female Employees: 1577 (estimated)
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
[ Hazard Codes ]:
Xn
[ Safety Phrases ]:
S24/25
[ RIDADR ]:
3256
[ WGK Germany ]:
1
[ RTECS ]:
GV8750000
[ HS Code ]:
2906199090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2906199090
[ Summary ]:
2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
Articles
J. Anal. Methods Chem. 2012 , 452949, (2012)
The use of iodine as a catalyst and either acetic or trifluoroacetic acid as a derivatizing reagent for determining the enantiomeric composition of acyclic and cyclic aliphatic chiral alcohols was inv...