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Cetyl Alcohol

CAS: 36653-82-4 | C16H34O

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 36653-82-4
Molecular Formula: C16H34O
Molecular Weight: 242.44699999999992 g/mol

Names and Synonyms:

Cetyl Alcohol
Cetylic alcohol
Cetalol CA
Cetal
Nafol 16
Kalcol 6028
Ginol 16
Spermol
Crodacol C 90
1-Hydroxyhexadecane
Conol 1670
Cetanol 70
Nacol 16-95
Kolliwax CA
Speziol C 16
Cetanol NX
Nacol 16-99
n-Hexadecyl alcohol
Lanette 1665
Lorol C 14/98
Hainol 16SS
Kalcol 6098
Nacol 1618
Cetyl Alcohol NX
Crodacol C 95
Lipocol C
CO 1695F
NAA 44
Kalcohl 6098
Alfol 16RD
NSC 4194
Hyfatol 16-95
Hyfatol 16-85
Conol 1695
Lanette 16
Tego Alkanol 16
Cetalcos
Laurex 16
Epal 16
CO 1695
Lorol C 16
1-Cetanol
Kalcohl 60
Palmitic alcohol
Hyfatol 16
Cachalot C 51
Alfol 16
Crodacol C
Loxanwax SK
Hexadecyl alcohol
Hexadecanol
Adol 52
Product 308
Palmityl alcohol
Loxanol K extra
Loxanol K
Lorol 24
n-Hexadecanol
Ethol
Ethal
Crodacol CAT
Crodacol CAS
Cetylol
Cetaffine
Atalco C
n-Cetyl alcohol
Adol 52NF
n-1-Hexadecanol
Cetanol
Siponol Wax A
Siponol CC
Cetyl alcohol
Adol 54
Elfacos C
Lanol C
1-Hexadecanol

Identifiers:

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

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 242.45 g/mol Legacy Database
density 0.82 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Cetyl_alcohol None Legacy Database
cas-density 0.8187 g/cm3 @ Temp: 50 °C None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=BXWNKGSJHAJOGX-UHFFFAOYSA-N None Legacy Database
cas-melting-point 49.3 °C None Legacy Database
cas-name Cetyl alcohol None Legacy Database
wikipedia-name Cetyl alcohol None Legacy Database
LogP 5.460000000000006 RDKit
cas-boiling-point 334 °C @ Press: 760 Torr None Legacy Database
cas-canonical-smile OCCCCCCCCCCCCCCCC None Legacy Database

Molecular

Property Value Source
Molecular Weight 242.44699999999992 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 242.26096570800001 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 17 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 1 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 14 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 20.23 Ų RDKit

Molar

Property Value Source
Molar Refractivity 77.39780000000006 RDKit

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