Dihydrophytol

HCID 102459CAS 645-72-7

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CCO
InChIKey: AJAKLDUGVSKVDG-UHFFFAOYSA-N
Molecular formula: C20H42O
Average molar mass: 298.5 g/mol
Monoisotopic mass: 298.32356596

Overview

3,7,11,15-Tetramethylhexadecan-1-ol has been reported in Azolla nilotica and Ginkgo biloba with data available.

Names & identifiers

Preferred name: Dihydrophytol
IUPAC: 3,7,11,15-tetramethylhexadecan-1-ol
English name: 3,7,11,15-tetramethylhexadecan-1-ol
Molecular formula: C20H42O
Molecular weight: 298.55

Names & synonyms

Dihydrophytol3,7,11,15-Tetramethylhexadecan-1-ol645-72-73,7,11,15-Tetramethyl-1-hexadecanolDTXSID00983061RefChem:487644DTXCID00964719211-453-01-Hexadecanol,3,7,11,15-tetramethyl-1-Hexadecanol, 3,7,11,15-tetramethyl-3,7,11,15-TetramethylhexadecanolMFCD00046007

Show more names

(rac)-Dihydrophytol3,7,11,15-tetramethyl-hexadecanol3,7,11,15-Tetramethylhexadecane-1-ol

dihydro-phytol3,7,11,15-Tetramethyl-1-hexadecanol; 3,7,11,15-Tetramethylhexadecanol; Octahydrogeranylgeraniol; Phytanic AlcoholEINECS 211-453-0Vitamin A Impurity 61AI3-36486(3R,7R,11R)-3,7,11,15-Tetramethylhexadecan-1-olSCHEMBL95738orb3028077

Database identifiers

CAS: 645-72-7
PubChem CID: 102459
DTXSID: DTXSID00983061
ChEMBL: CHEMBL4206760
EC Number: 211-453-0
Nikkaji: J108.347C

Properties

Computed structural properties

XLogP: 8.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 14
Heavy atoms: 21
Formal charge: 0
Complexity: 212

Experimental & physicochemical properties

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]

Physicochemical properties

Boiling point: 201.5 · 201.5-204 °C(Press: 9.5 Torr)
Density: 0.849 g/cm3 · 0.849 g/cm3(Temp: 0 °C)
storage temp.: Refrigerator
solubility: Chloroform (Slightly), Dichloromethane (Slightly)
pka: 15.13 · 15.13±0.10(Predicted)
form: Oil
color: Colourless
LogP: 8.367 · 8.367 (est)

Safety & regulation

Hazard information

Regulatory InformationChemical: 1-Hexadecanol, 3,7,11,15-tetramethyl-

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Chemistry & industry

Applications · 1 item

UsesDihydrophytol is an intermediate in the synthesis of Phytane (P399005). Phytane is a useful intermediate, which is involved in the manufacturing and analysis of various compounds. Phytane has recently been used in the development of a stable and environmental-friendly lubricating oil.