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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.
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 |
