CAS 112-30-1 Decanol - Materials / Alfa Chemistry

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Decanol

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Catalog Number

ACM112301

CAS Number

112-30-1

Product Name

Decanol

Structure

Category

Solubility Enhancing Reagents

Synonyms

Capric alcohol

Description

Decyl alcohol appears as a clear colorless liquid with a sweet fat-like odor. Flash point 180°F. Less dense than water and insoluble in water. Vapors are heavier than air.;Liquid;Liquid;Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;colourless liquid/floral, waxy, fruity odour

IUPAC Name

decan-1-ol

Molecular Weight

158.27

Molecular Formula

C10H22O

Canonical SMILES

CCCCCCCCCCO

InChI

InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3

InChI Key

MWKFXSUHUHTGQN-UHFFFAOYSA-N

Boiling Point

231 °C (lit.)

Melting Point

5-7 °C (lit.)

Flash Point

180 °F (USCG, 1999);82 °C (180 °F) - closed cup;180 °F (82 °C) (Open cup);108 °C c.c.

Purity

99%+

Density

0.84 at 68 °F (USCG, 1999);0.8297 g/cu cm at 20 °C;0.83 g/cm³;Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.01;0.826-0.831

Solubility

2.34e-04 M;0.037 mg/mL at 25 °C;In water, 37 mg/L at 25 °C;Soluble in carbon tetrachloride; miscible in ethanol, ether, acetone, benzene, chloroform;1:3 IN 60% ALCOHOL;Soluble in alcohol, ether, mineral oil, propylene glycol, fixed oils; Insoluble in glycerin water at 233 °C;Solubility in water, g/100ml at 20 °C: 0.37 (very poor);soluble in alcohol, ether, mineral oil, propylene glycol, most fixed oils; Insoluble in glycerin, water;1 ml in 3 ml 60% alcohol (in ethanol)

Appearance

Liquid

Application

Decanol, also known as 1-Decanol or decyl alcohol, serves a versatile role in various industries due to its unique chemical properties as a long-chain primary alcohol. It is primarily used in the manufacture of plasticizers, synthetic lubricants, and petroleum additives, benefiting from its solvent capabilities. Its incorporation in products spans surface active agents, solvents, and herbicides. In the cosmetic and personal care industry, Decanol functions as an emollient, surfactant, and foam booster, while also aiding in viscosity control and odor masking. It finds application in perfumery as a fixative, thanks to its characteristic floral odor akin to orange flowers. Additionally, Decanol impacts biological systems by enhancing homomeric glycine receptor function and inhibiting 5HT2α receptors, potentially influencing psychological states. This compound, naturally found in sweet orange and ambrette seed, is also commercially derived from liquid paraffin and acts as a plant growth regulator for crops like tobacco.<|vq_532|>

Storage

Room temperature

Color/Form

Colorless to water-white liquid;Colorless, viscous, refractive liquid;Moderately viscous, strongly refractive liquid

Complexity

61.9

Corrosivity

NON-CORROSIVE

Covalently-Bonded Unit Count

EC Number

203-956-9;266-367-6;287-621-2;253-173-1;613-644-8

Exact Mass

158.167065g/mol

Formal Charge

Heat of Vaporization

81.50 kJ/mol at 225 °C

Heavy Atom Count

ICSC Number

1490

Log P

4.57 (LogP);4.57;log Kow= 4.57;4.57;4.23 (calculated)

MeSH Entry Terms

1-decanol;n-decanol;n-decyl alcohol;n-decyl alcohol, aluminum salt;n-decyl alcohol, magnesium salt;n-decyl alcohol, sodium salt;n-decyl alcohol, titanium salt

Monoisotopic Mass

158.167065g/mol

NSC Number

406313

Odor

Sweet odor;Floral, fruity odor;RESEMBLE ORANGE FLOWERS

Other Experimental

Solidifies /at 6.4 °C/, forming rectangular plates or leaflets;BP: 115 to 120 °C at 15 mm Hg; 109.5 °C at 8 mm Hg;Conversion factors: 1 mg/L= 154.5 ppm; 1 ppm= 6.47 mg/cu m at 25 °C, 760 mm Hg;Liquid molar volume = 0.191772 cu m/kmol;Heat of formation = -4.0166X10+8 J/kmol;Heat of fusion = 3.7656X10+7 J/kmol (at melting pt);Heat of combustion = -6.1170X10+9 J/kmol;Surface tension = 0.029742 N/m (at melting point);Henry's Law constant = 4.7831X10-5 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 1.44X10-11 cu cm/molec-sec at 25 °C

Refractive Index

Index of refraction = 1.4372 at 20 °C/D;1.435-1.439

Rotatable Bond Count

RTECS Number

HE4375000

Stability

Stable in mildly acidic & alkaline solutions

UNII

89V4LX791F

UN Number

1987;3082

Vapor Density

5.3 (Air= 1);Relative vapor density (air = 1): 5.5

Vapor Pressure

0.01 mmHg;0.00851 mm Hg at 25 °C;Vapor pressure, Pa at 20 °C: 1

Viscosity

10.9 mPa.s at 25 °C

XLogP3

4.6

Case Study

Transformation of 1-Decanol to Diesel-Like Fuel and Bio-Based Oil

The reaction pathways from alcohol (1-decanol) to olefins and oligomers.. Snunkhaem Echaroj, et al. Energy & Fuels, 2017, 31(9), 9465-9476.

Biologically derived 1-decanol can be successfully converted into olefin mixtures and di-n-decyl ether through a two-step process of dehydration reaction and oligomerization under different γ-alumina catalyst conditions. The hydrogenated dimers could potentially be used as diesel fuel after blending with lighter hydrocarbons, while the hydrogenated heavier hydrocarbons could serve as bio-based oil.
Dehydration reaction and oligomerization reaction of 1-decanol
· The dehydration reaction of 1-decanol took place in a stainless steel fixed-bed reactor at atmospheric pressure and temperatures ranging from 573 to 623 K. 1-Decanol liquid was pumped through the reactor at a constant residence time of 0.4 h. Effluent samples taken at different intervals were separated into two phases, with the top organic phase containing olefins and di-n-decyl ether products, and the bottom layer being aqueous.
· The olefin oligomerization trials were carried out in a 1,000 mL continuously stirred batch reactor with three necks using different catalysts (10wt% USY Zeolite, beta Zeolite, and mordenite Zeolite) at 474 K. Three different mixtures obtained from various dehydration reaction conditions were used as raw materials.
· The oligomers obtained from vacuum distillation were further fractionated into heavy dimer and trimer fractions by distillation at temperatures ranging from 523 to 623 K under vacuum. Subsequently, both dimer and trimer were hydrogenated using a hydrogen flow rate of 200 mL/min over 0.5%Pt/Al2O3.

Decanol and Hexanol as Oxygenated Additives to Improve Biodiesel

Improvement effect of decanol and hexanol on biodiesel. Ashok, B., et al. Energy, 2019, 173, 494-510.

Studies have shown that alcohols are suitable additives for biodiesel because they overcome the disadvantages of biodiesel's higher viscosity and poorer performance. This work compares two higher alcohols (decanol and hexanol) as additives in red algae methyl ester (CIME) to develop suitable alternative fuels. The results showed that the thermal efficiency of the ternary mixture was higher than that of biodiesel. Diesel and biodiesel blends with the addition of 40% decanol showed better results in terms of emission characteristics.
Higher alcohol and Calophyllum Inophyllum biodiesel blends
· A total of four ternary blends and one binary blend were created by combining hexanol and decanol with diesel and CIME biodiesel at different concentrations.
· In the preparation of the ternary blends, the diesel content was kept constant at 50% by volume, while the remaining 50% was made up of varying concentrations of higher alcohol and biodiesel. These ternary blends were made using 30% and 40% higher alcohol with 10%-20% CIME biodiesel. The decanol samples were labeled as D50B20DE30 and D50B10DE40, while the hexanol samples were named D50B40H10, D50B20H30, and D50B10H40.
· Additionally, a binary blend called D50B50 was prepared using a 50%-50% volume ratio of diesel and CIME biodiesel. The blends were created using the splash blending technique, which is both commonly used and cost-effective.

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