CAS 98-52-2|4-(tert-Butyl)cyclohexanol

Introduction：Basic information about CAS 98-52-2|4-(tert-Butyl)cyclohexanol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles1
7. Synonyms

Common Name	4-(tert-Butyl)cyclohexanol
CAS Number	98-52-2	Molecular Weight	156.265
Density	0.9±0.1 g/cm3	Boiling Point	214.2±0.0 °C at 760 mmHg
Molecular Formula	C₁₀H₂₀O	Melting Point	62-70 °C(lit.)
MSDS	ChineseUSA	Flash Point	105.0±0.0 °C

Names

Name	4-Tert-Butylcyclohexanol
Synonym	More Synonyms

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
InChIKey	CCOQPGVQAWPUPE-UHFFFAOYSA-N
SMILES	CC(C)(C)C1CCC(O)CC1
Water Solubility	<1 g/L (20 ºC)

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

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%

Articles1

Acylation of Chiral Alcohols: A Simple Procedure for Chiral GC Analysis.

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...

Synonyms

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

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