Neryl propionate

Compound Structure:

Synonyms:

[(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate; Neryl propanoate; Propionic acid, neryl ester; 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, PROPIONATE, (Z)-; cis-3,7-Dimethyl-2,6-octadien-1-ol, propionate; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-

Compound ID:

NMPC-1306

PubChem ID:

5365982

Molecular Formula:

C13H22O2

Canonical SMILES:

CCC(=O)OCC=C(C)CCC=C(C)C

InChIKey:

BYCHQEILESTMQU-XFXZXTDPSA-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	210.31 g/mol
XLogP3-AA	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	210.161979940 g/mol
Monoisotopic Mass	210.161979940 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	245
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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, oily liquid/ether, fruity, jasmine, rose odour
Boiling Point	233.00 °C. @ 760.00 mm Hg
Density	0.89-0.91 (d20/4)
Solubility	very slightly soluble in water; soluble in alcohol

Source: PubChem

Source Species:

Morinda lucida

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