Fenchol

C₁₀H₁₈OCAS 1632-73-1154.25 g/mol

Properties

Molecular formula: C₁₀H₁₈O
Molar mass: 154.25 g/mol
Exact mass: 154.1358 Da
Melting point: 45 °C
Boiling point: 202–203 °C
logP: 2.19Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Not classified as hazardous under GHS by 1,632 ECHA notifiers. Aggregated from 1,632 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

1632-73-1

SMILES

CC12CCC(C1)C(C)(C)C2O

InChIKey

IAIHUHQCLTYTSF-UHFFFAOYSA-N

InChI

InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3

Characterization data

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

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 3.98 (s, 1H), 2.00 (br s, 1H), 1.51 (m, J = 7.0 Hz, 2H), 1.51 (m, J = 7.0 Hz, 2H), 1.51 (m, J = 7.0 Hz, 1H), 1.51 (m, J = 7.0 Hz, 2H), 0.86 (s, 3H), 0.86 (s, 6H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 96.8, 53.8, 52.8, 50.8, 43.3, 37.3, 28.8, 18.5, 18.5.

[M + H]+

[M + H]+ Calcd for C10H19O 155.1430

[M + Na]+

[M + Na]+ Calcd for C10H18NaO 177.1250

[M − H]−

[M − H]− Calcd for C10H17O 153.1285

Elemental analysis

Anal. Calcd for C10H18O: C, 77.87; H, 11.76.