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1-Hexanol

CAT: 1299-RM-H741500-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-H741500-02Size:25 mg
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CAS Number
111-27-3
Synonyms
Hexyl alcohol
Molecular Formula
C6H14O
Molecular Weight
102.17
Target Alternative Name
1-Hexanol
Product Name Synonym
Hexyl alcohol

Chemical Information

1-Hexanol

Hexan-1-ol is a primary alcohol that is hexane substituted by a hydroxy group at position 1. It has a role as an antibacterial agent, a fragrance, an alarm pheromone and a plant metabolite. It is a hexanol and a primary alcohol.

CAS Number111-27-3
PubChem CID8103
IUPAC Namehexan-1-ol
Molecular FormulaC6H14O
Molecular Weight102.17
XLogP2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity27
SMILES
CCCCCCO
InChI
InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKey
ZSIAUFGUXNUGDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hexanol
CAS: 111-27-3
CID: 8103
Formula: C6H14O
MW: 102.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.17
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass102.104465066
Monoisotopic Mass102.104465066
Topological Polar Surface Area20.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity27.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-W032022R-011-Hexanol (Standard)
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HY-W032022S3-011-Hexanol-d5
TRC-H281223-100MG1-Hexanol-d4
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