Tridecanoic acid

Compound Structure:

Synonyms:

TRIDECANOIC ACID; 638-53-9; n-Tridecanoic acid ;Tridecylic acid; n-Tridecoic acid

Compound ID:

NMPC-1570

PubChem ID:

12530

Molecular Formula:

C13H26O2

Canonical SMILES:

CCCCCCCCCCCCC(=O)O

InChIKey:

SZHOJFHSIKHZHA-UHFFFAOYSA-N

About the compound:

Tridecanoic acid is a C13 straight-chain saturated fatty acid. It has a role as a plant metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a tridecanoate.

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 25 of 26 companies (only ~ 3.8% 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	214.34 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	11
Exact Mass	214.193280068 g/mol
Monoisotopic Mass	214.193280068 g/mol
Topological Polar Surface Area	37.3Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	144
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	White to off-white solid;
Boiling Point	312.4°C
Melting Point	44.5°C

Source:PubChem

Source Species:

Tectona grandis

Download SDF