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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
Names and Synonyms:
Cetyl Alcohol
1-Hexadecanol
Lanol C
Elfacos C
Adol 54
Cetyl alcohol
Siponol CC
Siponol Wax A
Cetanol
n-1-Hexadecanol
Adol 52NF
n-Cetyl alcohol
Atalco C
Cetaffine
Cetal
Cetalol CA
Cetylic alcohol
Cetylol
Crodacol CAS
Crodacol CAT
Ethal
Ethol
n-Hexadecanol
Lorol 24
Loxanol K
Loxanol K extra
Palmityl alcohol
Product 308
Adol 52
Hexadecanol
Hexadecyl alcohol
Loxanwax SK
Crodacol C
Alfol 16
Cachalot C 51
Hyfatol 16
Palmitic alcohol
Kalcohl 60
1-Cetanol
Lorol C 16
CO 1695
Epal 16
Laurex 16
Cetalcos
Tego Alkanol 16
Lanette 16
Conol 1695
Hyfatol 16-85
Hyfatol 16-95
NSC 4194
Alfol 16RD
Kalcohl 6098
NAA 44
CO 1695F
Lipocol C
Crodacol C 95
Cetyl Alcohol NX
Nacol 1618
Kalcol 6098
Hainol 16SS
Lorol C 14/98
Lanette 1665
n-Hexadecyl alcohol
Nacol 16-99
Cetanol NX
Speziol C 16
Kolliwax CA
Nacol 16-95
Cetanol 70
Conol 1670
1-Hydroxyhexadecane
Crodacol C 90
Spermol
Ginol 16
Kalcol 6028
Nafol 16
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
Key Properties
Boiling Point
334 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
49.3 °C
CAS Common Chemistry
Density
0.82 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.45 g/mol | CAS Common Chemistry |
| 242.44699999999992 g/mol | RDKit | |
| 242.26096570800001 g/mol | RDKit | |
| Density | 0.82 g/cm³ | CAS Common Chemistry |
| 0.8187 g/cm3 @ Temp: 50 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cetyl_alcohol | CAS Common Chemistry |
| Boiling Point | 334 °C @ Press: 760 Torr | 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 |
| Molar Refractivity | 77.39780000000006 | RDKit |
