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

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Octanol

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Catalog Number

ACM111875-3

CAS Number

111-87-5

Product Name

Octanol

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

Application

Octanol is a versatile, colorless liquid with a wide range of applications due to its ability to mix with most organic solvents while being only slightly soluble in water. This combustibility makes it valuable in numerous industrial processes. Octanol serves primarily as a plasticizer for PVC resins, enhancing the flexibility and durability of materials. It is also used as a defoaming agent and wetting agent, facilitating various manufacturing processes. In organic synthesis, octanol contributes as a solvent mix for nitrocellulose, paints, lacquers, and baking finishes, optimizing their application and performance. Additionally, this compound acts as a penetrant for mercerizing cotton and is utilized in textile finishing compounds to improve fabric quality. Octanol is essential in the production of inks, rubbers, papers, and lubricants, showcasing its adaptability and significance across multiple industries. Comprising a mixture of isomers commonly produced by the Oxo process, octanol predominantly features a branched chain of eight carbon atoms originating from a selected C7 hydrocarbon fraction, reacting with hydrogen and carbon monoxide to achieve its functional properties.

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