CAS 597-96-6|3-METHYL-3-HEXANOL

Introduction:Basic information about CAS 597-96-6|3-METHYL-3-HEXANOL, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name3-METHYL-3-HEXANOL
CAS Number597-96-6Molecular Weight116.20100
Density0.823Boiling Point143ºC at 760mmHg
Molecular FormulaC7H16OMelting Point/
MSDS/Flash Point49.4ºC

Names

Name3-methylhexan-3-ol
SynonymMore Synonyms

Chemical & Physical Properties

Density0.823
Boiling Point143ºC at 760mmHg
Molecular FormulaC7H16O
Molecular Weight116.20100
Flash Point49.4ºC
Exact Mass116.12000
PSA20.23000
LogP1.94750
Index of Refraction1.425
InChIKeyKYWJZCSJMOILIZ-UHFFFAOYSA-N
SMILESCCCC(C)(O)CC

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 CodesF+
Risk PhrasesR10;R22
Safety PhrasesS23-S36/37
RIDADRUN 1987
Packaging GroupIII

Synonyms

Methyl-aethyl-propyl-carbinol
Methyl-ethyl-propyl-carbinol
MFCD00021839
3-METHYL-3-HEXANOL
3-Hexanol,3-methyl
2-Ethyl-2-pentanol
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