3-Decanol

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Catalog Number
ACM1565817
Product Name
3-Decanol
Structure
Structure
CAS
1565-81-7
Category
Heterocyclic Organic Compound
Synonyms
Ethyl-N-heptylcarbinol
IUPAC Name
Decan-3-ol
Molecular Weight
158.28
Molecular Formula
C10H22O
Canonical SMILES
CCCCCCCC(CC)O
InChI
InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3
InChI Key
ICEQLCZWZXUUIJ-UHFFFAOYSA-N
Boiling Point
98-99 °C
Melting Point
-5 °C
Flash Point
99 °C
Density
0,83 g/cm³
Solubility
Insoluble in water
Complexity
71
Defined Atom Stereocenter Count
0
Exact Mass
158.167065321
Formal Charge
0
Heavy Atom Count
11
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Monoisotopic Mass
158.167065321
Odor
Floral odor
Physical State
Liquid
Refractive Index
n20/D 1.4345(lit.)
Rotatable Bond Count
7
Topological Polar Surface Area
20.2 Ų
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