3-Decanol

Base Information

• Chemical Name: 3-Decanol
• CAS No.: 1565-81-7
• Deprecated CAS: 74683-67-3
• Molecular Formula: C10H22O
• Molecular Weight: 158.284
• Hs Code.: 2905199090
• European Community (EC) Number: 605-062-8
• UNII: WTY84QBP4T
• DSSTox Substance ID: DTXSID50862695
• Nikkaji Number: J80.234D
• Wikidata: Q27292837
• Metabolomics Workbench ID: 3368
• Mol file: 1565-81-7.mol

Synonyms:3-Decanol;1565-81-7;decan-3-ol;Ethyl heptyl carbinol;Heptyl ethyl carbinol;Ethyl n-heptyl carbinol;FEMA No. 3605;UNII-WTY84QBP4T;WTY84QBP4T;AI3-19948;Ethylheptylcarbinol;3-Decyl Alcohol;deca-8-yl alcohol;MFCD00021956;3-HYDROXYDECANE;3-Decanol, AldrichCPR;(+/-)-3-Decanol;DL-DECAN-3-OL;3-DECANOL [FHFI];1-ETHYL-1-OCTANOL;SCHEMBL194832;DTXSID50862695;BAA56581;3-DECANOL, (+/-)-;LMFA05000510;AKOS009158368;AS-56144;CS-0333995;D1176;FT-0615581;D89804;J-009317;Q27292837

Chemical Property of 3-Decanol

Chemical Property:

• Appearance/Colour: colorless to pale yellow clear liquid
• Vapor Pressure: 0.0365mmHg at 25°C
• Melting Point: -5°C
• Refractive Index: 1.4345
• Boiling Point: 213.4 °C at 760 mmHg
• PKA: 15.33±0.20(Predicted)
• Flash Point: 87.1 °C
• PSA: 20.23000
• Density: 0.826 g/cm³
• LogP: 3.11780
• XLogP3: 3.9
• 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

3-Decanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-37-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCCCCCCC(CC)O

Technology Process of 3-Decanol

There total 44 articles about 3-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:

decane (124-18-5) → decan-3-ol (1565-81-7) + decan-2-ol (1120-06-5) + decan-5-ol (5205-34-5) + decan-5-one (820-29-1) + decan-4-one (624-16-8) + 4-decanol (2051-31-2)

Guidance literature:

With ferrous(II) sulfate heptahydrate; manganese sulfate pentahydrate; air; D-glucose; calcium chloride; In water; at 25 ℃; for 168h; pH=6.0; regioselective reaction; Microbiological reaction;

DOI:10.1246/bcsj.82.105

Reference yield:

decane (124-18-5) → decan-3-ol (1565-81-7) + decan-5-ol (5205-34-5) + 1-Decanol (112-30-1) + decan-5-one (820-29-1) + decan-4-one (624-16-8) + 4-decanol (2051-31-2)

Guidance literature:

With ferrous(II) sulfate heptahydrate; manganese sulfate pentahydrate; air; D-glucose; calcium chloride; In water; at 25 ℃; for 168h; pH=6.0; regioselective reaction; Microbiological reaction;

DOI:10.1246/bcsj.82.105

upstream raw materials:

propan-1-ol

octanol

decan-3-one

n-heptylmagnesium bromide

Downstream raw materials:

1-ethyloctyl 3,5-dibromobenzoate

3-(methylthio)decane

decane-3-thiol

3-decyl methyl ether

Refernces

• 1、 Woods,Lederle. "-". . p. 2245. Retrieved 1951.
• 2、 Maseme, Mpeyake Jacob,Opperman, Diederik Johannes,Pennec, Alizé,Smit, Martha Sophia,van Marwijk, Jacqueline. "CYP505E3: A Novel Self-Sufficient ω-7 In-Chain Hydroxylase". supporting information. p. 10359 - 10362. Retrieved 2020/04/23.
• 3、 Premkumar, Periyasamy,Manikandan, Rajendran,Nirmala, Muthukumaran,Viswanathamurthi, Periasamy,Malecki, Jan Grzegorz. "Efficient and versatile catalysis for β-alkylation of secondary alcohols through hydrogen auto transfer process with newly designed ruthenium(II) complexes containing ON donor aldazine ligands". . p. 3065 - 3079. Retrieved 2017/10/11.