(±)-2-Dodecanol

C₁₂H₂₆OCAS 10203-28-8186.34 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₁₂H₂₆O
Molar mass: 186.34 g/mol
Exact mass: 186.1984 Da
Melting point: 19 °C
Boiling point: 252 °C
logP: 3.90Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 9

Hazards

Warning

H315 Causes skin irritation100% of notifiers

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

Precautionary statements

P264, P280, P302+P352, P321, P332+P317, P362+P364

Identifiers

CAS number

10203-28-8

SMILES

CCCCCCCCCCC(C)O

InChIKey

XSWSEQPWKOWORN-UHFFFAOYSA-N

InChI

InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3

Characterization data

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

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 4.02 (sext, J = 7.0 Hz, 1H), 2.00 (br s, 1H), 1.63 (q, 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), 1.22 (d, J = 7.0 Hz, 3H), 0.86 (t, J = 7.0 Hz, 3H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 68.4, 40.1, 32.5, 30.6, 30.3, 30.3, 30.3, 30.0, 23.8, 23.1, 23.0, 14.0.

[M + H]+

[M + H]+ Calcd for C12H27O 187.2056

[M + Na]+

[M + Na]+ Calcd for C12H26NaO 209.1876

[M − H]−

[M − H]− Calcd for C12H25O 185.1911

Elemental analysis

Anal. Calcd for C12H26O: C, 77.35; H, 14.06.