Pentadecanal

Compound Structure:

Synonyms:

PENTADECANAL ;2765-11-9 1;-pentadecanal; n-pentadecanal ;Pentadecanal-

Compound ID:

NMPC-1386

PubChem ID:

17697

Molecular Formula:

C15H30O

Canonical SMILES:

CCCCCCCCCCCCCCC=O

InChIKey:

XGQJZNCFDLXSIJ-UHFFFAOYSA-N

About the compound:

Pentadecanal is a long-chain fatty aldehyde that is pentadecane carrying an oxo substituent at position 1. It is a component of essential oils from plants like Solanumerianthum and Cassia siamea. It has a role as an antimicrobial agent, a volatile oil component and a plant metabolite. It is a long-chain fatty aldehyde and a 2,3-saturated fatty aldehyde.

GHS Hazard Statements

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

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	226.40 g/mol
XLogP3-AA	6.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Exact Mass	226.229665576 g/mol
Monoisotopic Mass	226.229665576 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	131
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Solid
Boiling Point	284.00 to 286.00 °C. @ 760.00 mm Hg
Melting Point	24 - 25 °C

Source: PubChem

Source Species:

Phyllanthus muellerianus
Solanum nigrum
Tithonia diversifolia
Brachystegia eurycoma
Mucuna pruriens
Tecoma stans

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