Octadecanoic acid

Octadecanoic acid
Compound Structure:
Synonyms: Octadecanoic acid; Stearic acid; n-Octadecanoic acid; Stearophanic acid; Cetylacetic acid; Pearl stearic; Stearex Beads; 1-Heptadecanecarboxylic acid; Octadecansaeure; Stearinsaeure; Vanicol; Glycon TP; Industrene R; Stearate; octadecoic acid; Humko Indus
Compound ID: NMPC-1346
PubChem ID:

5281

Molecular Formula: C18H36O2
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)O
InChIKey: QIQXTHQIDYTFRH-UHFFFAOYSA-N
About the compound:

Octadecanoic acid is a C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics. It has a role as a plant metabolite, a human metabolite, a Daphnia magna metabolite and an algal metabolite. It is a long-chain fatty acid, a straight-chain saturated fatty acid and a saturated fatty acid. It is a conjugate acid of an octadecanoate. It derives from a hydride of an octadecane.

GHS Hazard Statements

H315 (79.23%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (22.92%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H335 (29.69%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

H412 (10.92%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

First Aid

In case of exposure:

EYES: Remove contact lenses if present, flush eyes with water for 20-30 minutes, then seek medical help and transport to a hospital immediately.

SKIN: Flood affected skin with water, wash thoroughly with soap and water, seek medical help if symptoms develop.

INHALATION: Leave contaminated area, seek fresh air, call for medical assistance if symptoms occur, provide proper respiratory protection.

INGESTION: Do not induce vomiting. If conscious, give water and seek medical help. 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

284.5 g/mol

XLogP3

7.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

16

Exact Mass

284.271530387 g/mol

Monoisotopic Mass

284.271530387 g/mol

Topological Polar Surface Area

37.3Ų

Heavy Atom Count

20

Formal Charge

0

Complexity

202

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

Stearic acid is a white solid with a mild odor. Floats on water. (USCG, 1999)

Boiling Point

383°C

Melting Point

68.8°C

Density

0.86

Solubility 

Slightly soluble in ethanol, benzene; soluble in acetone, chloroform, carbon disulfide

Vapor Pressure

0.00000004 [mmHg]

Source: PubChem       

Source Species: Artocarpus altilis.
Colocasia esculenta
Costus afer
Crateva adansonii
Croton penduliflorus
Curculigo pilosa
Dyschoriste perrottetii
Eichhornia crassipes
Elaeis guineensis
Musa sapientum
Persea americana
Piper guineense
Pterocarpus santalinioides
Schumanniophyton magnificum
Scleria depressa
Senecio biafrae
Senna tora
Terminalia superba
Thaumatococcus daniellii
Vernonia amygdalina
Ximenia americana
Xylopia aethiopica
Piliostigma thonningii.
Musa acuminata
Adenodolichos paniculatus,
Napoleonaea imperialis
Tragia benthamii
Synepalum dulcificum
Pausinystalia yohimbe
Citrullus vulgaris
Hyptis suaveolens
Erythrina senegalensis
Pyrenacantha staudtii
Download SDF