Acetic acid

Acetic acid
Compound Structure:
Synonyms: acetic acid;ethanoic acid;64-19-7;Ethylic acid;Vinegar acid;Acetic acid glacial;Glacial acetic acid;Acetic acid, glacial;Methanecarboxylic acid;Acetasol;Essigsaeure;Acide acetique;Vinegar;Pyroligneous acid;Azijnzuur;Aceticum acidum
Compound ID: NMPC-546
PubChem ID:

176

Molecular Formula: C2H4O2
Canonical SMILES: CC(=O)O
InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
About the compound:

(9Z)-octadecen-1-ol is a long-chain fatty alcohol characterized by the presence of octadecanol with a double bond at position 9, specifically in the Z-geometric isomer configuration. This compound serves a dual role as a nonionic surfactant and a metabolite. It belongs to the category of long-chain primary fatty alcohols and is classified as a fatty alcohol with the designation 18:1. Oleyl alcohol, also known as cis-9-octadecen-1-ol, is a natural product discovered in Ruvettus pretiosus and Bombus hortorum. This unsaturated fatty alcohol, with the molecular formula C18H36O, is a colorless oil widely employed in cosmetic applications. It is primarily obtained through the hydrogenation of oleic acid esters using the Bouveault–Blanc reduction method. This process selectively reduces esters without affecting the C=C double bond, and the necessary oleate esters are sourced from various materials, including beef fat, fish oil, and olive oil. Oleyl alcohol finds versatile applications in the cosmetic industry, functioning as a nonionic surfactant, emulsifier, emollient, and thickener in products such as skin creams, lotions, shampoos, and hair conditioners. Additionally, it has been explored for its potential as a carrier for delivering medications through the skin or mucous membranes, including the lungs. The compound's multifunctional properties contribute to its widespread use in cosmetic formulations and ongoing research into its pharmaceutical applications.

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 524 of 569 companies (only ~ 7.9% 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

268.5 g/mol

XLogP3

7.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

15

Exact Mass

268.276615768 g/mol

Monoisotopic Mass

268.276615768 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

19

Formal Charge

0

Complexity

175

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Liquid; Liquid, Other Solid

Boiling Point

195 °C at 8 mm Hg; 182-184 °C at 1.5 mm Hg (Distilling range at 760 mm Hg: 305-370 °C)

Melting Point

13-19 °C

Density

0.8489 at 20 °C/4 °C

Solubility 

Insol in water; sol in alcohol, ether

Vapor Pressure

0.000093 [mmHg]

Source: PubChem

Source Species: Artocarpus altilis.
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