CAS 36653-82-4 Hexadecanol - Materials / Alfa Chemistry

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Hexadecanol

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Catalog Number

ACM36653824

CAS Number

36653-82-4

Product Name

Hexadecanol

Structure

Category

Solubility Enhancing Reagents

Synonyms

N-cetyl alcohol

Description

Liquid; OtherSolid; OtherSolid, Liquid; PelletsLargeCrystals; PelletsLargeCrystals, Liquid; PelletsLargeCrystals, OtherSolid; WetSolid, OtherSolid;Solid;Solid;white solid/odourless

IUPAC Name

hexadecan-1-ol

Molecular Weight

242.42

Molecular Formula

C16H34O

Canonical SMILES

CCCCCCCCCCCCCCCCO

InChI

InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3

InChI Key

BXWNKGSJHAJOGX-UHFFFAOYSA-N

Boiling Point

179-181 °C 10 mmHg (lit.)

Melting Point

48-50 °C (lit.)

Purity

99%+

Density

0.8187 at 50 °C/4 °C;0.8152 (55?°)

Solubility

Insoluble;9.69e-08 M;4.12e-05 mg/mL at 25 °C;Slightly soluble in alcohol; soluble in acetone; very soluble in ether, benzene, chloroform;Soluble in alcohol, chloroform, ether;In water, 4.1X10-2 mg/L at 25 °C;1.34e-05 mg/mL at 25 °C;insoluble in water; soluble in ether;1 gm in 3ml 90% alcohol (in ethanol)

Appearance

Solid

Application

Hexadecanol is a versatile long-chain fatty alcohol, known for its waxy white powder or flake form at room temperature. It serves multiple purposes in various formulations, primarily as an emulsifying agent in pharmaceutical preparations and as a common ingredient in cosmetic and personal care products like shampoos, creams, and lotions. While it is insoluble in water, it dissolves readily in alcohols and oils. Hexadecanol is valued for its ability to act as an opacifier, emulsifier, and thickening agent, thus modifying the consistency of liquids and enhancing and stabilizing foam in products. Though it can be synthetically produced or derived from the reduction of palmitic acid, it has been utilized since its discovery in 1913 for its beneficial properties in enhancing the texture and stability of various formulations.

Storage

Room temperature

Color/Form

FLAKES FROM ETHYL ACETATE;SOLID OR LEAF-LIKE CRYSTALS;White crystals;UNCTUOUS, WHITE FLAKES, GRANULES, CUBES, OR CASTINGS;White, waxy solid

Complexity

123

Covalently-Bonded Unit Count

EC Number

253-149-0;249-583-5;267-009-1

Exact Mass

242.260966g/mol

Formal Charge

Heat of Vaporization

9.9829X10+07 J/kmol at melting point

Heavy Atom Count

Log P

log Kow = 6.83 (est)

MeSH Entry Terms

1-hexadecanol;cetanol;cetyl alcohol;cetyl alcohol, 14C-labeled;cetyl alcohol, aluminum salt;hexadecan-1-ol;n-hexadecanol

Monoisotopic Mass

242.260966g/mol

NSC Number

4194

Odor

Faint odor;ODORLESS

Other Experimental

Congealing point: 46 °C;Liquid molar volume = 0.296365 cu m/kmol; Heat of formation = -5.1421X10+08 J/kmol; Heat of fusion = 5.838X10+07 J/kmol;Henry's Law constant = 4.65X10-5 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.8X10-11 cu cm/molec-sec at 25 °C (est)

Refractive Index

Index of refraction = 1.4283 at 79 °C/D;1.4283 (78.9?°)

Rotatable Bond Count

UNII

936JST6JCN

Vapor Density

8.360 (AIR= 1)

Vapor Pressure

6.00e-06 mmHg;6X10-6 mm Hg at 25 °C

Viscosity

53 mPa-s (=cP) at 75 °C

XLogP3