Cetyl alcohol

C16H34OCAS 36653-82-4242.45 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C16H34O
Molar mass
242.45 g/mol
Exact mass
242.2610 Da
Density
0.8187 g/mL (at 50 °C)
Melting point
49.3 °C
Boiling point
334 °C
Critical temperature
495.5 °C (768.6 K)ChemSep
Critical pressure
14.68 barChemSep
Acentric factor
0.779ChemSep
Enthalpy of formation (gas)
−521.80 kJ/molChemSep
pKa
16.2
Flash point
175 °C
logP
5.46Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
14

Hazards

Warning
Irritant (GHS07)

Aggregated from 3,386 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
36653-82-4
SMILES
CCCCCCCCCCCCCCCCO
InChIKey
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
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 3.62 (t, J = 7.0 Hz, 2H), 2.00 (br s, 1H), 1.63 (quint, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 0.86 (t, J = 7.0 Hz, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 63.0, 33.2, 32.5, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.3, 30.0, 26.3, 23.1, 14.0.
[M + H]+
[M + H]+ Calcd for C16H35O 243.2682
[M + Na]+
[M + Na]+ Calcd for C16H34NaO 265.2502
[M − H]−
[M − H]− Calcd for C16H33O 241.2537
Elemental analysis
Anal. Calcd for C16H34O: C, 79.27; H, 14.14.

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

74 names · show all
  • 1-Hexadecanol
  • Lanol C
  • Elfacos C
  • Adol 54
  • 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

Work with Cetyl alcohol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Hexanol111-27-3100 % similar 1-Heptanol111-70-6100 % similar 1-Octanol111-87-5100 % similar 1-Decanol112-30-1100 % similar Undecanol112-42-5100 % similar Dodecanol112-53-8100 % similar 1-Tridecanol112-70-9100 % similar 1-Tetradecanol112-72-1100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Di(2-ethylhexyl)ether10143-60-9 2-Hexyl-1-decanol2425-77-6 Octyl ether629-82-3

Elsewhere

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