Phytol acetate

Compound Structure:

Synonyms:

Phytyl acetate;10236-16-5 ;2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, 1-acetate, (2E,7R,11R)- (7R,11R,E)-3,7,11,15-Tetramethylhexadec-2-en-1-yl acetate; Phytyl acetate, (E)-

Compound ID:

NMPC-1408

PubChem ID:

637195

Molecular Formula:

C22H42O2

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CCCC(=CCOC(=O)C)C

InChIKey:

JIGCTXHIECXYRJ-ILWBRPEASA-N

About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 90 of 90 companies. For more detailed information, please visit ECHA C&L website.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	338.6 g/mol
XLogP3-AA	8.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Exact Mass	338.318480578 g/mol
Monoisotopic Mass	338.318480578 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	344
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Colourless liquid; Balsamic aroma
Density	0.867-0.873
Solubility	Practically insoluble to insoluble in water

Source: PubChem

Source Species:

Artocarpus altilis.
Vernonia blumeoides
Pentaclethra macrophylla

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