2-Octanol - Materials / Alfa Chemistry

NAVIGATION

2-Octanol

PRICE INQUIRY

Catalog Number

ACMA00016796

Product Name

2-Octanol

Category

Polymers

Description

Liquid;liquid;Liquid;COLOURLESS OILY LIQUID WITH CHARACTERISTIC ODOUR.;colourless, oily liquid

IUPAC Name

octan-2-ol

Molecular Weight

130.23g/mol

Molecular Formula

CH3(CH2)5CH(OH)CH3;C8H18O;C8H18O

Canonical SMILES

CCCCCCC(C)O

InChI

InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3

InChI Key

SJWFXCIHNDVPSH-UHFFFAOYSA-N

Boiling Point

179.25 °C;179 °C;178.5 °C

Melting Point

3.5 °C;-15.5 °C;-31.6 °C;-38.6°C;-38.6 °C

Flash Point

76 °C

Density

0.8193 g/cu cm at 20 °C;Relative density (water = 1): 0.82;0.817-0.820 (20?°)

Solubility

0.01 M;1.12 mg/mL at 25 °C;In water, 1120 mg/L at 25 C;Soluble in ethanol, ethyl ether, acetic acetone;MISCIBLE WITH AROMATIC AND ALIPHATIC HYDROCARBONS;SOL IN MOST COMMON ORGANIC SOLVENTS;1.2 mg/mL at 25 °C;Solubility in water, ml/100ml: 0.096 (none);soluble in most common organic solvents

Application

2-Octanol serves a vital role as a chemical reagent in the synthesis of numerous pharmaceutical compounds, primarily through its oxidation into ketones or aldehydes. This compound is instrumental in the creation of piperine derivatives, which function as MAO A and B inhibitors. As an octanol with the hydroxy group positioned at the second carbon, it is classified as a secondary alcohol and additionally acts as a volatile oil component and a plant metabolite.

Color/Form

Liquid;Colorless liquid

Complexity

52.5

Covalently-Bonded Unit Count

EC Number

204-667-0;223-938-4

Exact Mass

130.135765g/mol

Formal Charge

Heat of Vaporization

44.4 kJ/mol at 179.3 °C

Heavy Atom Count

ICSC Number

1170

Log P

2.9 (LogP);3.00;log Kow = 2.90;2.72

MeSH Entry Terms

2-octanol;2-octanol, (R)-isomer;2-octanol, (S)-isomer

Monoisotopic Mass

130.135765g/mol

NSC Number

14759

Odor

Characteristically disagreeable, but aromatic

Other Experimental

Oily, refractive liquid; solubility: 0.096 mL/100 mL water; aromatic, yet somewhat unpleasant odor, particularly on heating; density 0.8193 at 20 °C/4 °C; bp: 178.5 °C at 760 mm Hg; index of refraction: 1.42025 at 20 °C/D /DL-form/;BP: 86 °C at 20 mm Hg; specific optical rotation: +9.9 deg at 17 °C/D; index of refraction: 0.8216 at 20 °C/4 °C /D-form/;BP: 86 °C at 20 mm Hg; specific optical rotation: -9.9 deg at 17 °C/D /L-form/;Soluble in alcohol, ether, acetone; max absorption (vapor): 196 nm; max absorption (hexane): 175 nm (log e = 2.5); mp: -31.6 °C /dl-Form/;Density: 0.8201 at 20 °C/4 °C; miscible with water; soluble in alcohol, ether, acetone; index of refraction: 1.4264 at 20 °C/D /L-Form/;Conversion factors: 1 ppm = 5.32 mg/cu m; 1 mg/L = 187.8 ppm;Miscible with water; soluble in alcohol, ether, acetone; index of refraction: 1.4264 at 20 deg dC/D /d-Form/;VP: 1 mm Hg at 32.8 °C;Henry's Law constant = 3.2276X10-5 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 1.56X10-11 cu cm/molec-sec at 25 °C (est)

Refractive Index

1.424-1.429

Rotatable Bond Count

RTECS Number

RH0795000

Stability

Chemical stability: Stable under recommended storage conditions.

Vapor Density

4.5 (Air = 1);Relative vapor density (air = 1): 4.5

Vapor Pressure

0.24 mmHg;2.42X10-1 mm Hg at 25 °C;Vapor pressure, Pa at 25 °C: 32

XLogP3