(E)-2-tridecanal

Compound Structure:

Synonyms:

2-tridecenal; (E)-Tridec-2-enal;trans-2-Tridecenal;trans-2-tridecen-1-al; (e)-2-tridecenal; (2E)-2-Tridecenal; 2-Tridecenal, (E)-;3-Decylacrolein; (E)-Tridecen-2-al

Compound ID:

NMPC-038

PubChem ID:

5283363

Molecular Formula:

C13H24O

Canonical SMILES:

CCCCCCCCCCC=CC=O

InChIKey:

VMUNAKQXJLHODT-VAWYXSNFSA-N

About the compound:

2-Tridecenal has a carbon chain that's thirteen carbons long with a double bond between the 2nd and 3rd carbons (counting from the aldehyde end) and an aldehyde functional group (CHO) at one end. Properties: Aldehydes in general have distinct odors, and those with longer carbon chains, like 2-Tridecenal, tend to have heavier, waxy or fatty odors. The presence of the double bond can provide potential reactivity under certain conditions.

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 1395 of 1410 companies (only ~ 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	196.33 g/mol
XLogP3-AA	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	10
Exact Mass	196.182715385 g/mol
Monoisotopic Mass	196.182715385 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	138
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 or slightly yellowish liquid; Oily, citus aroma
Boiling Point	115.00 to 118.00 °C. @ 10.00 mm Hg
Density	0.842-0.862
Solubility	very slightly

Source: PubChem

Source Species:

Hippocratea indica

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