N-Hexanol pure, 98%

CAT: 0565-56464-01Size: 500 mLDry Ice: NoHazardous: No

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CAT#:0565-56464-01Size:500 mL

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Description

Part B

CAS Number

111-27-3

UN Code

UN No.: 2282, IMCO Class No.: 3, Packing Group: III

Storage Temperature

Room Temperature

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 Number	111-27-3
PubChem CID	8103
IUPAC Name	hexan-1-ol
Molecular Formula	C6H14O
Molecular Weight	102.17
XLogP	2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	7
Formal Charge	0
Complexity	27

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

CAS: 111-27-3

CID: 8103

Formula: C6H14O

MW: 102.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	102.17
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	102.104465066
Monoisotopic Mass	102.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	27.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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N-Hexanol pure, 98%

Chemical Information

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