1-Heptanol extrapure, 98%

CAT: 0565-55120-01Size: 500 mLDry Ice: NoHazardous: No

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CAT#:0565-55120-01Size:500 mL

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Description

Part A

CAS Number

111-70-6

Storage Temperature

Room Temperature

Chemical Information

Heptanol

Heptan-1-ol is a primary alcohol that is heptane substituted by a hydroxy group at position 1. It has been isolated from Capillipedium parviflorum. It has a role as a flavouring agent, a fragrance, a gap junctional intercellular communication inhibitor and a plant metabolite. It is a primary alcohol and a heptanol.

CAS Number	111-70-6
PubChem CID	8129
IUPAC Name	heptan-1-ol
Molecular Formula	C7H16O
Molecular Weight	116.20
XLogP	2.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	8
Formal Charge	0
Complexity	35

SMILES

CCCCCCCO

InChI

InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

InChIKey

BBMCTIGTTCKYKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111-70-6

CID: 8129

Formula: C7H16O

MW: 116.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	116.20
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	116.120115130
Monoisotopic Mass	116.120115130
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	35.4
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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1-Heptanol extrapure, 98%

Chemical Information

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