2-Octanol

2-Octanol
Compound Structure:
Synonyms: 2-OCTANOL;Octan-2-ol;123-96-6;2-Octyl alcohol;Hexylmethylcarbinol;2-Hydroxyoctane;1-Methylheptanol;4128-31-8;sec-Caprylic alcohol;Methylhexylcarbinol;1-Methylheptyl alcohol;DL-2-Octanol;n-Octan-2-ol;s-Octyl alcohol;(+/-)-2-Octanol
Compound ID: NMPC-276
PubChem ID:

20083

Molecular Formula: C8H18O
Canonical SMILES: CCCCCCC(C)O
InChIKey: SJWFXCIHNDVPSH-UHFFFAOYSA-N
About the compound:

Octan-2-ol, also known as 2-octanol, is a secondary alcohol that contains a hydroxy group at position 2 on an octanol molecule. It has roles as a volatile oil component and a plant metabolite. This compound is found naturally in various organisms, including Curcuma aromatica and Curcuma wenyujin. It is a colorless oily liquid that is not very soluble in water but can dissolve in many organic solvents. Additionally, it is classified as a fatty alcohol and is a chiral molecule, existing in enantiomeric forms.

GHS Hazard Statements

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]


Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

130.23 g/mol

XLogP3

2.9

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

5

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

52.5

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

COLOURLESS OILY LIQUID WITH CHARACTERISTIC ODOUR.

Boiling Point

179 °C

Melting Point

-31.6 °C

Density

0.8193 g/cu cm at 20 °C

Solubility 

Soluble in ethanolethyl ether, acetic acetone

Vapor Pressure

0.24 [mmHg]

 

Source: PubChem

Source Species: Hyparrhenia rufa
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