Pelargonic acid

Pelargonic acid
Compound Structure:
Synonyms: NONANOIC ACID; Pelargonic acid; 112-05-0; n-Nonanoic acid ;Nonoic acid
Compound ID: NMPC-1383
PubChem ID:

8158
Molecular Formula: C9H18O2
Canonical SMILES: CCCCCCCCC(=O)O
InChIKey: FBUKVWPVBMHYJY-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 141 of 141 companies. For more detailed information, please visit ECHA C&L website.

First Aid

• Eyes: Check for and remove contact lenses, flush eyes with water for 20-30 minutes, and seek medical assistance. Transport to hospital even without symptoms.

• Skin: Flood affected skin with water, wash with soap, and seek medical help if symptoms arise.

• Inhalation: Leave contaminated area, breathe fresh air, and call a physician if symptoms occur. Provide respiratory protection and transport to hospital if possible.

• Ingestion: Do not induce vomiting. Offer water if conscious, call for medical help, and transport to hospital if advised. If unconscious, ensure open airway and transport to hospital without inducing vomiting (NTP, 1992)

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

150.22 g/mol

XLogP3-AA

2

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

150.104465066 g/mol

Monoisotopic Mass

150.104465066 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

121

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

P-cymen-8-ol is a clear colorless to pale yellow liquid with an herbaceous celery-like odor. (NTP, 1992)

Boiling Point

64.00 °C. @ 0.60 mm Hg

Melting Point

9 °C

Density

0.974-0.980 (20°)

Solubility 

Slightly soluble in water

Vapor Pressure

0.974-0.980 (20°)

 

Source: PubChem       
Source Species: Musa paradisiaca
Persea americana
Piliostigma thonningii.
Luffa cylindrica
Download SDF