3,7,11,15-Tetramethyl-2 hexadecene-1-ol

3,7,11,15-Tetramethyl-2 hexadecene-1-ol
Compound Structure:
Synonyms: Phytol;3,7,11,15-TETRAMETHYL-2-HEXADECEN-1-OL;7541-49-3;3,7,11,15-Tetramethylhexadec-2-en-1-ol;2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-;(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol
Compound ID: NMPC-325
PubChem ID:

5366244

Molecular Formula: C20H40O
Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
InChIKey: BOTWFXYSPFMFNR-HMMYKYKNSA-N
About the compound:

3,7,11,15-Tetramethyl-2-hexadecen-1-OL is a naturally occurring compound present in various organisms such as Echinophora tournefortii and Juniperus. Phytol is an acyclic diterpene alcohol and is notably a component of chlorophyll. It serves as a common precursor in the production of synthetic variants of both vitamin E and vitamin K1. Additionally, it has been demonstrated that phytol can influence gene expression in cells through its interaction with transcription factors like PPAR-alpha and retinoid X receptor (RXR).

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

H400 (95.12%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

H410 (97.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]


Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

296.5 g/mol

XLogP3-AA

8.2

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

13

Exact Mass

296.307915895 g/mol

Monoisotopic Mass

296.307915895 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

21

Formal Charge

0

Complexity

255

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Colourless to yellow viscous liquid; Faint floral aroma

Density

0.847-0.863

Solubility 

Practically insoluble to insoluble in water, Soluble (in ethanol)

Source: PubChem

Source Species: Moringa oleifera
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