CAS 112-53-8 Dodecanol - Materials / Alfa Chemistry

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Dodecanol

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Catalog Number

ACM112538

CAS Number

112-53-8

Product Name

Dodecanol

Structure

Category

Solubility Enhancing Reagents

Synonyms

1-Hydroxydodecane

Description

Dodecanol is a colorless thick liquid with a sweet odor. Floats on water. Freezing point is 75°F. (USCG, 1999);Liquid; OtherSolid, Liquid; WetSolid;Liquid;Liquid;Solid;COLOURLESS LIQUID OR WHITE CRYSTALS WITH CHARACTERISTIC ODOUR.;Colourless liquid above 21?°, fatty odour

IUPAC Name

dodecan-1-ol

Molecular Weight

186.33

Molecular Formula

C12H26O

Canonical SMILES

CCCCCCCCCCCCO

InChI

InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3

InChI Key

LQZZUXJYWNFBMV-UHFFFAOYSA-N

Boiling Point

260-262 °C (lit.)

Melting Point

22-26 °C (lit.)

Flash Point

260 °F (USCG, 1999);260 °F (127 °C) (Closed cup);121 °C c.c.

Purity

99%+

Density

0.831 at 75.2 °F (USCG, 1999);0.8309 at 24 °C/4 °C;0.8309 AT 24 °C/4 °C;Density (at 24 °C): 0.83 g/cm³;Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00;0.830-0.836

Solubility

2.15e-05 M;0.004 mg/mL at 25 °C;In water, 4 mg/L at 25 °C;Soluble in ethanol, ether; slightly soluble in benzene;Soluble in two parts of 70% alcohol;SOL IN ALCOHOL & ETHER; INSOL IN WATER;Insoluble;Solubility in water, g/l at 25 °C: 0.004 (very poor);soluble in most fixed oils, propylene glycol; insoluble in glycerin, water;1 ml in 3 ml 70% alcohol; remains clear to 10 ml (in ethanol)

Appearance

Solid

Application

Dodecanol, also known as 1-Dodecanol, is a versatile compound with a variety of applications. Derived from coconut oil fatty acids, it features a 12-carbon saturated structure and possesses a characteristic fatty, waxy flavor. Although its odor can be unpleasant at high concentrations, it becomes delicate and floral when diluted. Dodecanol serves several purposes, including being an essential ingredient in detergents, lubricating oils, and pharmaceuticals. Additionally, it is utilized as a cosmetic and in textile auxiliaries, synthetic oils, emulsifiers, and as a flotation agent for raw materials. In the dental industry, it acts as a foaming agent for toothpaste. Furthermore, Dodecanol is registered for use in apple and pear orchards, where it functions as a Lepidopteran pheromone/sex attractant to disrupt the mating behavior of specific moths whose larvae threaten crops.

Storage

Room temperature

Color/Form

Leaflets from dilute alcohol;COLORLESS LIQ AT ROOM TEMP; CRYSTALLINE OR FLAKES BELOW 20 °C;Colorless solid;CRYSTALLINE SOLID

Complexity

81.2

Covalently-Bonded Unit Count

EC Number

203-982-0;278-306-0;271-359-0

Exact Mass

186.198365g/mol

Formal Charge

Hazard Statements

Xi,N

Heat of Vaporization

90.8 kJ/mol at 25 °C

Heavy Atom Count

ICSC Number

1765

Log P

5.13 (LogP);5.13;log Kow = 5.13;5.13;5.4

MeSH Entry Terms

1 Dodecanol;1-Dodecanol;Alcohol, Dodecyl;Alcohol, Lauryl;Alcohol, n-Dodecyl;Dodecanol;Dodecyl Alcohol;Lauryl Alcohol;n Dodecyl Alcohol;n-Dodecyl Alcohol

Monoisotopic Mass

186.198365g/mol

NSC Number

3724

Odor

CHARACTERISTIC FATTY ODOR; UNPLEASANT AT HIGH CONCN BUT DELICATE & FLORAL ON DILUTION;Fatty repulsive odor

Other Experimental

BP: 235.7 °C at 400 mm Hg; 213 °C at 200 mm Hg; 192 °C at 100 mm Hg; 177.8 °C at 60 mm Hg; 167.2 °C at 40 mm Hg; 150 °C at 20 mm Hg; 134.7 °C at 10 mm Hg; 120.2 °C at 5 mm Hg; 91.0 °C at 1.0 mm Hg;Congealing point greater than 21 °C; acid value not more than 1;Conversion factor: 1 mg/L= 131.3 ppm; 1 ppm= 7.62 mg/cu m at 25 °C, 760 mm Hg;Index of refraction: 0.8201 at 40 °C/4 °C; 0.7781 at 99 °C/4 °C;Liquid molar volume = 0.224405 cu m/kmol;Heat of formation = -4.4426X10+8 J/kmol;Heat of fusion = 3.1380X10+7 J/kmol (at melting pt);Henry's Law constant = 5.186X10-5 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 1.8X10-11 cu cm/molec-sec at 25 °C (est);CONVERSION FACTORS: 1 MG/L= 131.3 PPM; 1 PPM= 7.62 MG/CU M AT 25 °C, 760 MM HG

Refractive Index

Index of refraction: 0.8309 at 24 °C/4 °C (liq);INDEX OF REFRACTION: 1.4400-1.4440 AT 20 °C/D;1.440-1.444

Rotatable Bond Count

RTECS Number

JR5775000

Safety Description

61-37/39-29-26-60-36

Supplemental Hazard Statements

H319-H410-H315-H400-H320-H371

UNII

178A96NLP2

UN Number