Dihydrophytol
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Basic information
- CAS
645-72-7- 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 propertiesFilling in
- XLogP
- 8.5
- Topological polar surface area
- 20.2 Ų
- 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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
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.
Upstream & downstream products
Downstream products
Related reactions
55 records
Compound notes
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