CAS 111-87-5 Octanol - Materials / Alfa Chemistry

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Solubility Enhancing Reagents

Octanol

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Catalog Number

ACM111875

Product Name

Octanol

Structure

CAS

111-87-5

Category

Solubility Enhancing Reagents

Synonyms

Capryl alcohol

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.;Liquid;Liquid;Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;COLOURLESS OILY LIQUID WITH CHARACTERISTIC ODOUR.;colourless liquid/sharp fatty-citrus odour

IUPAC Name

octan-1-ol

Molecular Weight

130.20

Molecular Formula

C8H18O

Canonical SMILES

CCCCCCCCO

InChI

InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

InChI Key

KBPLFHHGFOOTCA-UHFFFAOYSA-N

Boiling Point

196 °C (lit.)

Melting Point

−15 °C (lit.)

Flash Point

178 °F (USCG, 1999);178 °F (81 °C) (Closed cup);81 °C c.c.;76 °C

Purity

99%+

Density

0.829 at 68 °F (USCG, 1999);d204 0.83;0.8262 g/cu cm at 25 °C;Relative density (water = 1): 0.83;Relative density (water = 1): 0.82;0.822-0.830

Solubility

0.00 M;0.54 mg/mL at 25 °C;In water, 540 mg/L at 25 °C;Miscible in ethanol, ether; soluble in carbon tetrachloride;Miscible with chloroform, mineral oil; immiscible with glycerol;SOL IN PROPYLENE GLYCOL.;0.54 mg/mL;Solubility in water, mg/l at 20 °C: 0.30 (very poor);Solubility in water, ml/100ml: 0.096 (none);soluble in most fixed oils, propylene glycol; insoluble in glycerin;1 ml in 5 ml 50% alcohol (in ethanol)

Appearance

Liquid

Storage

Room temperature

Color/Form

Colorless liquid

Complexity

43.8

Covalently-Bonded Unit Count

EC Number

203-917-6;249-405-6;266-920-1;271-642-9;606-925-1

Exact Mass

130.135765g/mol

Formal Charge

Hazard Statements

H319

Heat of Vaporization

70.98 kJ/mol at 25 °C

Heavy Atom Count

ICSC Number

1030;1170

Log P

3.0 (LogP);3.00;log Kow = 3.00;3.00;3.0;2.72

MeSH Entry Terms

1 Octanol;1-Octanol;Alcohol, n-Octyl;n Octanol;n Octyl Alcohol;n-Octanol;n-Octyl Alcohol

Monoisotopic Mass

130.135765g/mol

NSC Number

9823

Odor

Fresh orange rose odor;Penetrating aromatic odor

Other Experimental

PERCENT COMPOSITION IN AZEOTROPE: 87.0% 1-OCTANOL & 13% PHENOL; BP= 195.4 °C;PERCENT COMPOSITION IN AZEOTROPE: 10% 1-OCTANOL & 90.0% WATER; BP= 99.4 °C.;DIELECTRIC CONSTANT: 10.3 @ 20 °C;ISOTHERMAL COMPRESSIBILITY: 6.82 @ 1 ATM & 0 °C;Acid value: not more than 1;Conversion factors: 1 ppm = 5.32 mg/cu m; 1 mg/L = 187.8 ppm at 25 °C, 760 mm Hg;Henry's Law constant = 2.5032X10-5 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 1.44X10-11 cu cm/molec-sec at 25 °C

Refractive Index

n20D 1.4295;Index of refraction = 1.4205 at 20 °C/D;1.428-1.431

Rotatable Bond Count

RTECS Number

RH6550000

UNII

NV1779205D

Vapor Density

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

Vapor Pressure

0.08 mmHg;7.94X10-2 mm Hg at 25 °C (est);Vapor pressure, Pa at 20 °C: 8.7;Vapor pressure, Pa at 25 °C: 32

Viscosity