3-METHYL-3-HEXANOL

Modify Date: 2024-01-02 15:29:07

3-METHYL-3-HEXANOL Structure
3-METHYL-3-HEXANOL structure
Common Name 3-METHYL-3-HEXANOL
CAS Number 597-96-6 Molecular Weight 116.20100
Density 0.823 Boiling Point 143ºC at 760mmHg
Molecular Formula C7H16O Melting Point N/A
MSDS N/A Flash Point 49.4ºC

 Names

Name 3-methylhexan-3-ol
Synonym More Synonyms

 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

 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

 Synonyms

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