octanol

octanol
Compound Structure:
Synonyms: Octan-1-ol; 1-octanol; Octanol; N-octanol; Octyl alcohol; Caprylic alcohol; Capryl alcohol; Heptyl carbinol; 1-Hydroxyoctane; Alcohol C-8; n-Octan-1-ol; Octilin; Alfol 8; Sipol L8; Lorol 20; n-Caprylic alcohol; 1-Octyl alcohol; n-Heptyl carbinol; Octyl-al
Compound ID: NMPC-1355
PubChem ID:

957
Molecular Formula: C8H18O
Canonical SMILES: CCCCCCCCO
InChIKey: KBPLFHHGFOOTCA-UHFFFAOYSA-N
About the compound:

Octanol appears as a clear colorless liquid with a penetrating aromatic odor. Insoluble in water and floats on water. Vapors heavier than air. Vapors may irritate the eyes, nose, and respiratory system.

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (92.17%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H400 (91.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

• H410 (15.65%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

130.23 g/mol

XLogP3

3

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

6

Exact Mass

130.135765193 g/mol

Monoisotopic Mass

130.135765193 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

9

Formal Charge

0

Complexity

43.8

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

Octanol appears as a clear colorless liquid with a penetrating aromatic odor. Insoluble in water and floats on water. Vapors heavier than air. Vapors may irritate the eyes, nose, and respiratory system.

Boiling Point

194.7 °C

Melting Point

-14.7 °C

Density

0.822-0.830

Solubility 

Miscible with chloroform, mineral oil; immiscible with glycerol

Vapor Pressure

0.07 [mmHg]

Source: PubChem                        
Source Species: Acalypha segetalis
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