Pentanoic acid

Pentanoic acid
Compound Structure:
Synonyms: Valeric acid ;PENTANOIC ACID ;n-Valeric acid ;109-52-4 ;n-Pentanoic acid
Compound ID: NMPC-1390
PubChem ID:

7991

Molecular Formula: C5H10O2
Canonical SMILES: CCCCC(=O)O
InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
About the compound:

Pentanoic acid appears as a colorless liquid with a penetrating unpleasant odor. Density 0.94 g / cm3. Freezing point -93.2 °F (-34 °C). Boiling point 365.7 °F (185.4 °C). Flash point 192 °F (88.9 °C). Corrosive to metals and tissue. Valeric acid is a straight-chain saturated fatty acid containing five carbon atoms. It has a role as a plant metabolite. It is a short-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a valerate.

GHS Hazard Statements

H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

First Aid

Eyes: Remove contact lenses, flush with water for 20-30 minutes, and seek medical help. Transport to hospital even without symptoms.

Skin: Flood with water, wash with soap, and seek medical help. Transport to hospital immediately.

Inhalation: Leave contaminated area, seek fresh air, and call a physician if symptoms arise. Use proper 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 immediately. 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

102.13 g/mol

XLogP3

1.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

3

Exact Mass

102.068079557 g/mol

Monoisotopic Mass

102.068079557 g/mol

Topological Polar Surface Area

37.3Ų

Heavy Atom Count

7

Formal Charge

0

Complexity

59.1

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

Pentanoic acid appears as a colorless liquid with a penetrating unpleasant odor. Density 0.94 g / cm3. Freezing point -93.2 °F (-34 °C). Boiling point 365.7 °F (185.4 °C). Flash point 192 °F (88.9 °C). Corrosive to metals and tissue.

Boiling Point

186.1°C

Melting Point

-34°C

Solubility 

Freely soluble in alcohol, ether

Vapor Pressure

0.19 [mmHg]

Source: PubChem            

Source Species: Nicotiana tabacum
Luffa cylindrica
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