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1-Hexadecanol

CAT: 0926-FH37717-05Size: 5 KgDry Ice: NoHazardous: No
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CAT#:0926-FH37717-05Size:5 Kg
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CAS Number
36653-82-4
Synonyms
Cetyl alcohol
MDL Number
MFCD00004760
Smiles
CCCCCCCCCCCCCCCCO
Molecular Formula
C16H34O
Molecular Weight
242.44 g/mol
Controlled
No

Chemical Information

Cetyl Alcohol

Hexadecan-1-ol is a long-chain primary fatty alcohol that is hexadecane substituted by a hydroxy group at position 1. It has a role as a flavouring agent, a plant metabolite, a human metabolite and an algal metabolite. It is a hexadecanol and a long-chain primary fatty alcohol.

CAS Number36653-82-4
PubChem CID2682
IUPAC Namehexadecan-1-ol
Molecular FormulaC16H34O
Molecular Weight242.44
XLogP7.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Heavy Atom Count17
Formal Charge0
Complexity123
SMILES
CCCCCCCCCCCCCCCCO
InChI
InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
InChIKey
BXWNKGSJHAJOGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cetyl Alcohol
CAS: 36653-82-4
CID: 2682
Formula: C16H34O
MW: 242.44
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.44
XLogP37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Exact Mass242.260965704
Monoisotopic Mass242.260965704
Topological Polar Surface Area20.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity123
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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CatalogName
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HY-B1465S2-011-Hexadecanol-d5
HY-B1465S4-011-Hexadecanol-d4
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