Octadecanol

Octadecanol
Compound Structure:
Synonyms: Octadecan-1-ol; Stearyl alcohol; Octadecanol; 1-Hydroxyoctadecane; Octadecyl alcohol; n-Octadecanol; n-1-Octadecanol; Stearol; n-Octadecyl alcohol; Stearic alcohol; Atalco S; Alfol 18; Steraffine; Alcohol stearylicus; Polaax; Stenol; Crodacol-S; Siponol S
Compound ID: NMPC-1351
PubChem ID:

8221

Molecular Formula: C18H38O
Canonical SMILES: CCCCCCCCCCCCCCCCCCO
InChIKey: GLDOVTGHNKAZLK-UHFFFAOYSA-N
About the compound:

Octadecan-1-ol is a long-chain primary fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of 18 carbon atoms. It has a role as a plant metabolite, a human metabolite and an algal metabolite. It is a long-chain primary fatty alcohol, a fatty alcohol 18:0 and a primary alcohol. It derives from a hydride of an octadecane.

GHS Hazard Statements

H319 (59.97%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H400 (39.02%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

H410 (19.51%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

H411 (40.17%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

H412 (39.74%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

First Aid

For basic treatment, ensure clear airway, encourage deep breathing, administer oxygen, monitor for respiratory issues, pulmonary edema, shock, and seizures. Flush eyes with water for contamination. In cases of ingestion, rinse mouth, administer water for dilution if possible, and activated charcoal if applicable.Advanced treatment may involve intubation for airway control, positive-pressure ventilation, drug therapy for pulmonary edema, monitoring cardiac rhythm, IV administ ration of fluids, cautious fluid administration for hypotension, consideration of vasopressors if needed, monitoring for signs of hypoglycemia, and treating seizures with appropriate medication. Use proparacaine hydrochloride for eye irrigation in cases of eye contamination. Currance, P.L. Clements, B., Bronstein, A.C. (Eds).; Emergency Care For Hazardous Materials Exposure. 3Rd edition, Elsevier Mosby, St. Louis, MO 2005, p. 233

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

270.5 g/mol

XLogP3

8.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

16

Exact Mass

270.292265831 g/mol

Monoisotopic Mass

270.292265831 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

19

Formal Charge

0

Complexity

145

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

Dry Powder; Liquid; NKRA; Other Solid; Pellets or Large Crystals, Liquid, Other Solid; Pellets or Large Crystals, Other Solid

Boiling Point

336 °C

Melting Point

59.5 °C

Density

0.8124 at 59 °C/4 °C

Solubility 

Soluble in chloroform; slightly soluble in acetone, benzene

Vapor Pressure

0.0000027 [mmHg]

Source: PubChem       

Source Species: Tithonia diversifolia
Brachystegia eurycoma
Acalypha segetalis
Download SDF