3,7-Dimethyloctan-3-ol

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Names

[ CAS No. ]:
78-69-3

[ Name ]:
3,7-Dimethyloctan-3-ol

[Synonym ]:
Tetrahydrolinalool
Linalool tetrahydride
3,7-dimethyl-3-octano
tetrahydrolinalol
3,7-Dimethyl-3-octanol
3,7-Dimethyl-octan-3-ol
3-Octanol, 3,7-dimethyl-
FEMA 3060
3-OH-3,7-dimethyloctane
3,7-Dimethyloctan-3-ol
1-bromo-3-hydroxy-3,7-dimethyloctan
(±)-3,7-Dimethyl-3-octanol
MFCD00004482
Tetrahydrolimalool
EINECS 201-133-9
TETRAHYDRO LINALOOL
3,7-Dimethyloctanol-3
2,6-Dimethyl-6-octanol
(+/-)-tetrahydrolinalool

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
194.5±8.0 °C at 760 mmHg

[ Molecular Formula ]:
C10H22O

[ Molecular Weight ]:
158.281

[ Flash Point ]:
76.1±0.0 °C

[ Exact Mass ]:
158.167068

[ PSA ]:
20.23000

[ LogP ]:
3.51

[ Vapour Pressure ]:
0.1±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.434

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RH0905000
CHEMICAL NAME :
3-Octanol, 3,7-dimethyl-
CAS REGISTRY NUMBER :
78-69-3
LAST UPDATED :
199701
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C10-H22-O
MOLECULAR WEIGHT :
158.32
WISWESSER LINE NOTATION :
QX2&1&3Y1&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 :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,909,1979 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
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: 17,909,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4500 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: 55(6),86,1990
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: 17,909,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7895 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/38

[ Safety Phrases ]:
S26-S36-S37/39

[ RIDADR ]:
NA 1993 / PGIII

[ WGK Germany ]:
1

[ RTECS ]:
RH0905000

[ Packaging Group ]:
I; II; III

Synthetic Route

Precursor & DownStream

Precursor

  • Linalool
  • 2,6-Dimethyloctane
  • 3,7-DIMETHYLOCT-6-EN-3-OL
  • 3-bromo-3,7-dimethyloctane
  • 3,7-dimethyloct-6-en-1-yn-3-ol
  • (5Ξ,6S)-2,6-dimethyl-5-(toluene-4-sulfonyloxy)-octane
  • trans-4-methyl-1-cyclohexyl pivalate
  • (-)-Linalool

DownStream

  • Acetone
  • 2-Heptanone, 6-methyl-
  • 2-Butanone
  • 2,6-Dimethyloctane

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Related Compounds

  • 7-methoxy-3,7-dimethyloctan-3-ol
  • bis(3,7-dimethyloctan-3-yl) benzene-1,2-dicarboxylate
  • TETRAHYDROLINALYL ACETATE
  • (2S)-2-[4-(3,7-dimethyloctan-3-yloxy)anilino]-3-phenylpropanoic acid
  • 3,7-dimethyloctan-1-ol,4-methylbenzenesulfonic acid
  • 3,7-dimethyloctan-2-ol
  • 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
  • Methyl 2-Morpholino-2-phenylacetate hydrochloride
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • 1-Bromo-2-nitro-3-(3,3,3-trifluoropropoxy)benzene
  • tert-Butyl-DL-alanine