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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 Mass
- 242.45 g/mol
Identifiers
CAS Registry Number
36653-82-4
SMILES
CCCCCCCCCCCCCCCCO
InChI Key
BXWNKGSJHAJOGX-UHFFFAOYSA-N
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
Names and Synonyms
- Cetyl Alcohol Common Name
- Nacol 16-95 Synonym
- 1-Hexadecanol Synonym
- Lanol C Synonym
- Elfacos C Synonym
- Adol 54 Synonym
- Cetyl alcohol Synonym
- Siponol CC Synonym
- Siponol Wax A Synonym
- Cetanol Synonym
- n-1-Hexadecanol Synonym
- Adol 52NF Synonym
- n-Cetyl alcohol Synonym
- Atalco C Synonym
- Cetaffine Synonym
- Cetal Synonym
- Cetalol CA Synonym
- Cetylic alcohol Synonym
- Cetylol Synonym
- Crodacol CAS Synonym
- Crodacol CAT Synonym
- Ethal Synonym
- Ethol Synonym
- n-Hexadecanol Synonym
- Lorol 24 Synonym
- Loxanol K Synonym
- Loxanol K extra Synonym
- Palmityl alcohol Synonym
- Product 308 Synonym
- Adol 52 Synonym
- Hexadecanol Synonym
- Hexadecyl alcohol Synonym
- Loxanwax SK Synonym
- Crodacol C Synonym
- Alfol 16 Synonym
- Cachalot C 51 Synonym
- Hyfatol 16 Synonym
- Palmitic alcohol Synonym
- Kalcohl 60 Synonym
- 1-Cetanol Synonym
- Lorol C 16 Synonym
- CO 1695 Synonym
- Epal 16 Synonym
- Laurex 16 Synonym
- Cetalcos Synonym
- Tego Alkanol 16 Synonym
- Lanette 16 Synonym
- Conol 1695 Synonym
- Hyfatol 16-85 Synonym
- Hyfatol 16-95 Synonym
- NSC 4194 Synonym
- Alfol 16RD Synonym
- Kalcohl 6098 Synonym
- NAA 44 Synonym
- CO 1695F Synonym
- Lipocol C Synonym
- Crodacol C 95 Synonym
- Cetyl Alcohol NX Synonym
- Nacol 1618 Synonym
- Kalcol 6098 Synonym
- Hainol 16SS Synonym
- Lorol C 14/98 Synonym
- Lanette 1665 Synonym
- n-Hexadecyl alcohol Synonym
- Nacol 16-99 Synonym
- Cetanol NX Synonym
- Speziol C 16 Synonym
- Kolliwax CA Synonym
- Cetanol 70 Synonym
- Conol 1670 Synonym
- 1-Hydroxyhexadecane Synonym
- Crodacol C 90 Synonym
- Spermol Synonym
- Ginol 16 Synonym
- Kalcol 6028 Synonym
- Nafol 16 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.45 g/mol | CAS Common Chemistry |
| 242.44699999999992 g/mol | RDKit | |
| 242.447 g/mol | RDKit | |
| Density | 0.82 g/cm³ | CAS Common Chemistry |
| 0.8187 g/cm3 @ 50 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cetyl_alcohol | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=BXWNKGSJHAJOGX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 49.3 °C | CAS Common Chemistry |
| Name | Cetyl alcohol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 5.460000000000006 | RDKit |
| 5.46 | RDKit | |
| Molar Refractivity | 77.39780000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 242.26096570800001 g/mol | RDKit |
| Boiling Point | 334 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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
Related
Related molecules
Other compounds with formula C16H34O.
