4-Methyl-1-Pentanol

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Catalog Number
ACM626891
Product Name
4-Methyl-1-Pentanol
Structure
Structure
CAS
626-89-1
Category
Alcohols
Synonyms
Isohexanol
IUPAC Name
4-methylpentan-1-ol
Molecular Weight
102.17
Molecular Formula
C6H14O
Canonical SMILES
CC(C)CCCO
InChI
InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
InChI Key
PCWGTDULNUVNBN-UHFFFAOYSA-N
Boiling Point
160-165 °C (lit.)
Solubility
0.07 M
Complexity
33.2
Covalently-Bonded Unit Count
1
EC Number
210-969-3
Exact Mass
102.104465066g/mol
Hazard Statements
H226
Heavy Atom Count
7
Hydrogen Bond Acceptor Count
1
Monoisotopic Mass
102.104465066g/mol
NSC Number
91492
Refractive Index
1.414 (lit.)
RIDADR
UN 2053 3 / PGIII
Rotatable Bond Count
3
Symbol
GHS02
Topological Polar Surface Area
20.2Ų
UNII
X796XFP7D4
XLogP3
1.6
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