2-Hexyl-1-decanol

C16H34OCAS 2425-77-6242.45 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C16H34O
Molar mass
242.45 g/mol
Exact mass
242.2610 Da
Density
0.838 g/mL (at 20 °C)
Melting point
16 °C
Boiling point
170–180 °C (at 24 Torr)
logP
5.32Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
13

Hazards

Not classified as hazardous under GHS by 353 ECHA notifiers. Aggregated from 353 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
2425-77-6
SMILES
CCCCCCCCC(CO)CCCCCC
InChIKey
XULHFMYCBKQGEE-UHFFFAOYSA-N
InChI
InChI=1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3
Characterization data

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

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 3.62 (d, J = 7.0 Hz, 2H), 2.00 (br s, 1H), 1.91 (sept, J = 7.0 Hz, 1H), 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), 0.86 (t, J = 7.0 Hz, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 67.7, 38.4, 32.5, 32.5, 31.0, 31.0, 30.6, 30.3, 30.3, 30.0, 28.1, 28.1, 23.1, 23.1, 14.0, 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.

Weigh it out

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

Names and synonyms

18 names · show all
  • 1-Decanol, 2-hexyl-
  • 2-Hexyldecanol
  • 2-Hexyldecyl alcohol
  • NJCOL 160BR
  • Rilanit G 16
  • Exxal 16
  • Jarcol I 16
  • NJCOL 160BRA
  • Isofol 16
  • Guerbitol 16
  • Guerbet hexadecanol
  • NSC 2399
  • Guerbet C16
  • NJCOL 160B
  • Risonol 16SP
  • Hexyldecanol
  • Hexyldecyl alcohol
  • 2-Octyl-1-octanol

Work with 2-Hexyl-1-decanol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Octyldodecanol5333-42-6100 % similar 2-Decyltetradecanol58670-89-6100 % similar 2-Propylheptanol10042-59-886 % similar 2-N-Butylpropane-1,3-diol2612-26-273 % similar Cyclohexylmethanol100-49-270 % similar Pentylcyclohexane4292-92-667 % similar Heptylcyclohexane5617-41-467 % similar Cyclopentanemethanol3637-61-465 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Di(2-ethylhexyl)ether10143-60-9 Cetyl alcohol36653-82-4 Octyl ether629-82-3

Elsewhere

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