3,3,5-Trimethylcyclohexanol

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Names

[ CAS No. ]:
116-02-9

[ Name ]:
3,3,5-Trimethylcyclohexanol

[Synonym ]:
HOMOMENTHOL
MFCD00019378
trimethylcyclohexanol
EINECS 204-122-7
TMC
Cyclohexanol, 3,3,5-trimethyl-
3,3,5-trimethyl-cyclohexanol
Isophorol,dihydro
3,3,5-Trimethylcyclohexanol
3,5,5-Trimethylcyclohexanol
3,3,5-TRIMETHYLCYCLOHEXANE
L6TJ A1 A1 CQ E1
3,3,5-trimethyl
cis-3,3,5-TriMethylcyclohexanol
Dihydroisophenol
DIHYDROISOPHOROL
CYCLONOL
dihydro-isophoro
M-HOMOMENTHOL

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
187.7±8.0 °C at 760 mmHg

[ Melting Point ]:
30-32ºC

[ Molecular Formula ]:
C9H18O

[ Molecular Weight ]:
142.239

[ Flash Point ]:
73.2±10.9 °C

[ Exact Mass ]:
142.135757

[ PSA ]:
20.23000

[ LogP ]:
2.87

[ Vapour Pressure ]:
0.2±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.448

[ Water Solubility ]:
1.8 g/L (20 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GW0875000
CHEMICAL NAME :
Cyclohexanol, 3,3,5-trimethyl-
CAS REGISTRY NUMBER :
116-02-9
BEILSTEIN REFERENCE NO. :
2203314
LAST UPDATED :
199701
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C9-H18-O
MOLECULAR WEIGHT :
142.27
WISWESSER LINE NOTATION :
L6TJ A1 A1 CQ E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,1007,1974
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: -,216,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946
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: -,216,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,60,1949
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,60,1949 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1317 No. of Facilities: 88 (estimated) No. of Industries: 2 No. of Occupations: 14 No. of Employees: 4164 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1317 No. of Facilities: 44 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 355 (estimated) No. of Female Employees: 133 (estimated)

Safety Information

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36

[ Safety Phrases ]:
S26-S39

[ RTECS ]:
GW0875000

Synthetic Route

Precursor & DownStream

Precursor

  • Isophorone
  • 3,3,5-Trimethylcyclohexanone
  • Carbon dioxide
  • Isopropanol
  • acetic acid
  • Diethyl ether

DownStream

  • 1,1,3-TRIMETHYLCYCLOHEXANE
  • trans-1,1,3,4-tetramethylcyclopentane
  • 3,3,5-Trimethylcyclohexanone
  • (3,3,5-trimethylcyclohexyl) 2-methylprop-2-enoate
  • 2,2,4-Trimethylcyclopentanone
  • 2,2,4-Trimethylhexanedioic acid
  • 2,4,4-Trimethylhexanedioic acid
  • UNII:IRJ0Q2WNHK
  • 3,3,5-Trimethylcyclohexyl Acrylate
  • ethyl 2-(1-hydroxy-3,3,5-trimethylcyclohexyl)acetate

Related Compounds

  • 3,3,5-triMethylcyclohexanol
  • 3,3,5-Trimethylcyclohexanol
  • trans-3,3,5-trimethylcyclohexanol
  • trans-3,3,5-trimethylcyclohexanol
  • 3,3,5-Trimethylcyclohexanol acetate
  • 1-ethynyl-3,3,5-trimethylcyclohexanol
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • [(4-Methoxy-3,5-dimethylphenyl)methyl]hydrazine
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • 5-bromo-1,3-dihydro-6-methoxy-2H-Indol-2-one
  • tert-Butyl-DL-alanine