2-Decanol

Base Information

• Chemical Name: 2-Decanol
• CAS No.: 1120-06-5
• Molecular Formula: C10H22O
• Molecular Weight: 158.284
• Hs Code.: 29051900
• European Community (EC) Number: 214-296-6
• NSC Number: 67349
• UNII: SLY85BY3SS
• DSSTox Substance ID: DTXSID90862553
• Nikkaji Number: J80.157G
• Wikidata: Q31838883
• Metabolomics Workbench ID: 136654
• ChEMBL ID: CHEMBL46477
• Mol file: 1120-06-5.mol

Synonyms:2-DECANOL;Decan-2-ol;1120-06-5;2-Hydroxydecane;Methyl-n-octylcarbinol;SLY85BY3SS;EINECS 214-296-6;NSC 67349;NSC-67349;AI3-11545;2-Decyl Alcohol;Decanol-2;NSC67349;MFCD00004594;Methyl-n-octyl carbinol;2-Decanol, 98%;UNII-SLY85BY3SS;CHEMBL46477;SCHEMBL161083;(+/-)-2-DECANOL;DTXSID90862553;BAA12006;2-DECANOL, (+/-)-;AKOS009031496;NCGC00166009-01;CS-0329594;D1379;FT-0612134;FT-0770824;FT-0774193;D89844;J-002686

Chemical Property of 2-Decanol

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 0.0393mmHg at 25°C
• Melting Point: -6--4 °C(lit.)
• Refractive Index: n20/D 1.434(lit.)
• Boiling Point: 212.2 °C at 760 mmHg
• PKA: 15.29±0.20(Predicted)
• Flash Point: 85 °C
• PSA: 20.23000
• Density: 0.826 g/cm³
• LogP: 3.11780
• Storage Temp.: Store below +30°C.
• Water Solubility.: Not miscible in water.
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 71.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Decanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N,Xn,F
• Hazard Codes: Xi,N,Xn,F
• Statements: 36-51/53-15-10
• Safety Statements: 26-61-43-7/8

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCCCCCCCC(C)O
• Uses: 2-Decanol is used to develop a miniature catalytic reactor for the oxidation of alcohols with O2 in supercritical CO2. It was used to study the substrate spectrum of phytanoyl-CoA hydroxylase with regard to the length of both the acyl chain and the branch at position.

Technology Process of 2-Decanol

There total 131 articles about 2-Decanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 71.0%

decane (124-18-5) → decan-3-ol (1565-81-7) + decan-2-ol (1120-06-5) + 3,8-decane diol (127818-70-6) + decan-3-one (928-80-3) + 2,7-decane diol (4470-03-5) + 2,8-decane diol + 3,7-decane diol + 4-decanol (2051-31-2)

Guidance literature:

With glucose dehydrogenase from Bacillus megaterium; cytochrome P₄₅₀ monooxygenase CYP₅₀₅E₃ from Aspergillus terreus; nicotinamide adenine dinucleotide; In aq. phosphate buffer; at 25 ℃; for 24h; Reagent/catalyst; regioselective reaction; Catalytic behavior; Enzymatic reaction;

DOI:10.1002/anie.202001055

Reference yield:

1-(bicyclo[2.2.1]hept-2-yloxy)-2-octylborirane → decan-2-ol (1120-06-5) + 1-Decanol (112-30-1) + 1,2-decanediol (1119-86-4) + Norborneol (497-36-9,497-37-0)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; at 0 ℃;

DOI:10.1016/j.jorganchem.2018.08.005

Reference yield:

1-cyclooctyl-2-octylborirane → decan-2-ol (1120-06-5) + 1-Decanol (112-30-1) + 1,2-decanediol (1119-86-4) + cyclooctanol (696-71-9)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; at 0 ℃;

DOI:10.1016/j.jorganchem.2018.08.005

upstream raw materials:

1,2-Epoxydecane

ethanol

oct-1-ene

di-tert-butyl peroxide

Downstream raw materials:

(3,5-Dinitro-phenyl)-carbamic acid (R)-1-methyl-nonyl ester

(3,5-Dinitro-phenyl)-carbamic acid (S)-1-methyl-nonyl ester

decane

2-chlorodecane

Refernces

• 1、 Voss, Constance V.,Gruber, Christian C.,Kroutil, Wolfgang. "Deracemization of secondary alcohols through a concurrent tandem biocatalytic oxidation and reduction". . p. 741 - 745. Retrieved 2008.
• 2、 Yamamoto et al.. "". . p. 672. Retrieved 1976.
• 3、 Voss, Constance V.,Gruber, Christian C.,Kroutil, Wolfgang. "A biocatalytic one-pot oxidation/reduction sequence for the deracemisation of a sec-alcohol". . p. 276 - 281. Retrieved 2007.
• 4、 Matsushita, Hajime,Ishiguro, Shigeo,Ichinose, Hiroshi,Izumi, Akira,Mizusaki, Shigenobu. "REDUCTION OF ALDEHYDES AND KETONES TO ALCOHOLS WITH HYDROUS ZIRCONIUM OXIDE AND 2-PROPANOL". . p. 731 - 734. Retrieved 1985.
• 5、 Sonnet, Philip E.. "Kinetic Resolutions of Aliphatic Alcohols with a Fungal Lipase from Mucor miehei". . p. 3477 - 3479. Retrieved 1987.
• 6、 Dethlefsen, Johannes R.,Lupp, Daniel,Teshome, Ayele,Nielsen, Lasse B.,Fristrup, Peter. "Molybdenum-catalyzed conversion of diols and biomass-derived polyols to alkenes using isopropyl alcohol as reductant and solvent". . p. 3638 - 3647. Retrieved 2015.
• 7、 Zhang,Bao,Dong. "The asymmetric solvomercuration-demercuration of olefins in chiral micellar systems". . p. 3029 - 3035. Retrieved 1993.
• 8、 Eisch, John J.,Liu, Zhi-Rong,Singh, Mona. "High Regioselectivity in the Alternative, Reductive Cleavages of Terminal Epoxides with Aluminum Reagents". . p. 1618 - 1621. Retrieved 1992.
• 9、 Kohlmann, Christina,Robertz, Nora,Leuchs, Susanne,Dogan, Zuebeyde,Luetz, Stephan,Bitzer, Katrin,Na'Amnieh, Shukrallah,Greiner, Lasse. "Ionic liquid facilitates biocatalytic conversion of hardly water soluble ketones". . p. 147 - 153. Retrieved 2011.
• 10、 Newman,Underwood,Renoll. "-". . p. 3363. Retrieved 1949.