Docosanoic acid

Docosanoic acid
Compound Structure:
Synonyms: Docosanoic acid; Behenic acid; N-Docosanoic acid; Docosanic acid; Docosanoic-12,12,13,13-d4 Acid; DOCOSANOIC-7,7,8,8-D4 ACID; DOCOSANOIC-22,22,22-D3 ACID; n-Docosanoate; docosanoyl alcohol.
Compound ID: NMPC-977
PubChem ID:

8215

Molecular Formula: C22H44O2
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIKey: UKMSUNONTOPOIO-UHFFFAOYSA-N
About the compound:

Docosanoic acid is a straight-chain, C22, long-chain saturated fatty acid. It has a role as a plant metabolite. It is a straight-chain saturated fatty acid and a long-chain fatty acid. It is a conjugate acid of a behenate. Docosanoic acid is a natural product found in Staphisagriamacrosperma, Rhizophoraapiculata, and other organisms with data available. Behenic Acid is a saturated very long-chain fatty acid with a 22-carbon backbone. Behenic acid is a major component of ben oil, extracted from the seeds of the moringa tree.

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 170 of 175 companies (only ~ 2.9% 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

340.6 g/mol

XLogP3

9.6

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

20

Exact Mass

340.334130642 g/mol

Monoisotopic Mass

340.334130642 g/mol

Topological Polar Surface Area

37.3Ų

Heavy Atom Count

24

Formal Charge

0

Complexity

250

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

Liquid; Liquid, Other Solid; Other Solid; Pellets or Large Crystals

Boiling Point

306 °C at 60 mm Hg

Melting Point

79.95 °C

Density

0.8221 at 100 °C/4 °C

Vapor Pressure

0.00000007 [mmHg]

Source: PubChem

Source Species: Tetrapleura tetraptera
Dioscorea dumetorum
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