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

NAVIGATION

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

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