Introduction：Basic information about CAS 626-89-1|4-Methyl-1-pentanol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Methyl-1-pentanol (Isohexanol) is a volatile aroma compound of red wine from cv. Kalecik Karasι[1].
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References
[1]. Selli S, et, al. Volatile composition of red wine from cv. Kalecik Karasι grown in central Anatolia
Chemical & Physical Properties
Density
0.821 g/mL at 25 °C(lit.)
Boiling Point
160-165 °C(lit.)
Molecular Formula
C6H14O
Molecular Weight
102.17500
Flash Point
125 °F
Exact Mass
102.10400
PSA
20.23000
LogP
1.41490
Index of Refraction
n20/D 1.414(lit.)
InChIKey
PCWGTDULNUVNBN-UHFFFAOYSA-N
SMILES
CC(C)CCCO
Storage condition
Flammables area
Toxicological Information
CHEMICAL IDENTIFICATION
RTECS NUMBER :
NR3020000
CHEMICAL NAME :
Isohexyl alcohol
CAS REGISTRY NUMBER :
626-89-1
BEILSTEIN REFERENCE NO. :
1731303
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H14-O
MOLECULAR WEIGHT :
102.20
WISWESSER LINE NOTATION :
Q3Y1&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
170 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 135,330,1962
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