3-METHYL-3-HEXANOL

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Names

[ CAS No. ]:
597-96-6

[ Name ]:
3-METHYL-3-HEXANOL

[Synonym ]:
Methyl-aethyl-propyl-carbinol
Methyl-ethyl-propyl-carbinol
MFCD00021839
3-METHYL-3-HEXANOL
3-Hexanol,3-methyl
2-Ethyl-2-pentanol
EINECS 209-910-4

Chemical & Physical Properties

[ Density]:
0.823

[ Boiling Point ]:
143ºC at 760mmHg

[ Molecular Formula ]:
C7H16O

[ Molecular Weight ]:
116.20100

[ Flash Point ]:
49.4ºC

[ Exact Mass ]:
116.12000

[ PSA ]:
20.23000

[ LogP ]:
1.94750

[ Index of Refraction ]:
1.425

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MP0950000
CHEMICAL NAME :
3-Hexanol, 3-methyl-
CAS REGISTRY NUMBER :
597-96-6
BEILSTEIN REFERENCE NO. :
1719032
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H16-O
MOLECULAR WEIGHT :
116.23
WISWESSER LINE NOTATION :
QX3&2&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
785 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 4,477,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
680 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,161,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04237

Safety Information

[ Hazard Codes ]:
F+

[ Risk Phrases ]:
R10;R22

[ Safety Phrases ]:
S23-S36/37

[ RIDADR ]:
UN 1987

[ Packaging Group ]:
III

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 3-methyl-3-sulfanylhexan-1-ol
  • 3-methyl-3-prop-2-enyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
  • 3-methyl-3-silyloxybutanal
  • 3-methyl-3-propan-2-yldioxirane
  • 3-methyl-3-azoniabicyclo[2.2.2]octan-5-ol,chloride
  • 3-Methyl-3-(4-methylpiperidino)propyl=benzoate
  • 1-[(Tert-butoxy)methyl]-3,3-difluorocyclobutan-1-amine
  • 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
  • 1-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethoxy]acetyl}-octahydrocyclopenta[b]pyrrole-3a-carboxylic acid
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxylate
  • 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
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde