Decanol

• CAS: 112-30-1
• Catalog Number: ACM112301
• Category: Main Products; Fatty Alcohols
• Molecular Weight: 158.27
• Molecular Formula: C10H22O
• 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
• Synonyms: Capric alcohol
• IUPAC Name: decan-1-ol
• 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.
• 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
• Storage: Room temperature
• Alcohol: Decanol
• Autoignition Temperature: 550 °F (USCG, 1999);550 °F (288 °C);255 °C
• CNo.Chain: C10:0
• 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: 1
• Decomposition: When heated to decomposition it emits acrid smoke and irritating fumes.
• EC Number: 203-956-9;266-367-6;287-621-2;253-173-1;613-644-8
• Exact Mass: 158.167065g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heat of Vaporization: 81.50 kJ/mol at 225 °C
• Heavy Atom Count: 11
• ICSC Number: 1490
• LogP: 4.57 (LogP);4.57;log Kow= 4.57;4.57;4.23 (calculated)
• 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
• Physical State: Liquid
• Refractive Index: Index of refraction = 1.4372 at 20 °C/D;1.435-1.439
• Rotatable Bond Count: 8
• 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

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

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.

Custom Q&A

What is the molecular formula of 1-Decanol?

The molecular formula of 1-Decanol is C10H22O.

What is the molecular weight of 1-Decanol?

The molecular weight of 1-Decanol is 158.28 g/mol.

What is the IUPAC name of 1-Decanol?

The IUPAC name of 1-Decanol is decan-1-ol.

What is the InChI of 1-Decanol?

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

What is the InChIKey of 1-Decanol?

The InChIKey of 1-Decanol is MWKFXSUHUHTGQN-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Decanol?

The canonical SMILES of 1-Decanol is CCCCCCCCCCO.

What are some synonyms for 1-Decanol?

Some synonyms for 1-Decanol are Decan-1-ol, Decyl alcohol, and Decanol.

In which organisms is 1-Decanol a natural product found?

1-Decanol is a natural product found in Mikania cordifolia, Cichorium endivia, and other organisms with available data.

What is the CAS number of 1-Decanol?

The CAS number of 1-Decanol is 112-30-1.

What is the description of 1-Decanol?

1-Decanol appears as a clear colorless liquid with a sweet fat-like odor. It has a flash point of 180 °F, is less dense than water, and insoluble in water. Vapors of 1-Decanol are heavier than air.

Synthetic Use

Downstream Synthesis Route 1

• 110-89-4
• 112-30-1

• 59652-33-4

Reference: [1] Russian Journal of Organic Chemistry, 1995, vol. 31, # 2, p. 258 - 259[2] Zhurnal Organicheskoi Khimii, 1995, vol. 31, # 2, p. 289 - 290

Downstream Synthesis Route 2

• 112-30-1

• 112-29-8

Reference: [1] Tetrahedron, 2003, vol. 59, # 13, p. 2253 - 2258

Downstream Synthesis Route 3

• 112-30-1
• 1034-39-5

• 112-29-8

Reference: [1] Justus Liebigs Annalen der Chemie, 1959, vol. 626, p. 26,33

Downstream Synthesis Route 4

• 112-30-1
• 84-66-2

• 84-77-5

Reference: [1]Zhurnal Fizicheskoj Khimii,1953,vol. 27,p. 713,716
Chem.Abstr.,1954,p. 13

Downstream Synthesis Route 5

• 112-30-1
• 636-53-3

• 4654-20-0

Reference: [1]Zhurnal Fizicheskoj Khimii,1953,vol. 27,p. 790
Chem.Abstr.,1955,p. 2828

Downstream Synthesis Route 6

• 112-30-1
• 930-73-4

• 2456-28-2
• 7289-52-3
• 872-05-9

Reference: [1]Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1950,p. 216,221
Chem.Abstr.,1950,p. 9337
[2]Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1949,p. 311,315
Chem.Abstr.,1950,p. 159

* For details of the synthesis route, please refer to the original source to ensure accuracy.