Pentadecanoic acid

Pentadecanoic acid
Compound Structure:
Synonyms: PENTADECANOIC ACID ;1002-84-2; Pentadecylic acid; n-Pentadecanoic acid; Pentadecyclic acid
Compound ID: NMPC-1388
PubChem ID:

13849
Molecular Formula: C15H30O2
Canonical SMILES: CCCCCCCCCCCCCCC(=O)O
InChIKey: WQEPLUUGTLDZJY-UHFFFAOYSA-N
About the compound:

Pentadecanoic acid is a straight-chain saturated fatty acid containing fifteen-carbon atoms. It has a role as a plant metabolite, a food component, a Daphnia magna metabolite, a human blood serum metabolite and an algal metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a pentadecanoate.

GHS Hazard Statements

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

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

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

242.40 g/mol

XLogP3

5.8

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

13

Exact Mass

242.224580195 g/mol

Monoisotopic Mass

242.224580195 g/mol

Topological Polar Surface Area

37.3Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

166

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 crystalline solid; [Alfa Aesar MSDS]

Melting Point

52.3 °C

Source: PubChem            
Source Species: Curculigo pilosa
Petiveria alliacea
Tectona grandis
Urena lobata
Piliostigma thonningii.
Hirsute Palisota
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