(S)-1,2-Decanediol

Base Information

• Chemical Name: (S)-1,2-Decanediol
• CAS No.: 84276-14-2
• Molecular Formula: C10H22O2
• Molecular Weight: 174.28
• Hs Code.: 29053995
• DSSTox Substance ID: DTXSID60369963
• Nikkaji Number: J1.053.667G
• Wikidata: Q72461612
• Mol file: 84276-14-2.mol

Synonyms:(S)-1,2-DECANEDIOL;84276-14-2;(S)-Decane-1,2-diol;(2S)-decane-1,2-diol;(S)-(-)-1,2-Decanediol;SCHEMBL2478756;DTXSID60369963;YSRSBDQINUMTIF-JTQLQIEISA-N;AKOS025311552;(S)-(-)-1,2-Decanediol, 99%

Chemical Property of (S)-1,2-Decanediol

Chemical Property:

• Vapor Pressure: 0.00254mmHg at 25°C
• Melting Point: 59-61 °C(lit.)
• Refractive Index: 1.456
• Boiling Point: 255°C at 760 mmHg
• Flash Point: 122.4°C
• PSA: 40.46000
• Density: 0.922g/cm³
• LogP: 2.09020
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 174.161979940
• Heavy Atom Count: 12
• Complexity: 83.9

Purity/Quality:

(S)-(?)-1,2-Decanediol 99% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(CO)O
• Isomeric SMILES: CCCCCCCC[C@@H](CO)O

Technology Process of (S)-1,2-Decanediol

There total 8 articles about (S)-1,2-Decanediol 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: 92.0%

(S)-2-Acetoxy-decanoic acid (1R,2S,4S)-1-[(dicyclohexylsulfamoyl)-methyl]-7,7-dimethyl-bicyclo[2.2.1]hept-2-yl ester → (S)-decane-1,2-diol (84276-14-2) + (+)-(1R,2S,4S)-N,N-dicyclohexyl-7,7-dimethyl-2-hydroxybicyclo[2.2.1]heptane-1-methanesulfonamide (99295-72-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 1h; Yield given;

DOI:10.1002/hlca.19850680127

Reference yield:

1-Decene (872-05-9,17438-89-0,25189-70-2) → (S)-decane-1,2-diol (84276-14-2) + (R)-decane-1,2-diol (87827-60-9)

Guidance literature:

With potassium dioxotetrahydroxoosmate(VI); potassium carbonate; dihydroquinidine 9-O-(9'-phenanthryl) ether hydrochloride; potassium hexacyanoferrate(III); In water; tert-butyl alcohol; at 0 ℃; for 18h; Product distribution; enantioselective oxidation; further alkenes investigated;

DOI:10.1021/jo00015a001

Reference yield:

4-n-octyl-2-phenyl-1,3,2-dioxaborolane → (S)-decane-1,2-diol (84276-14-2) + (R)-decane-1,2-diol (87827-60-9)

Guidance literature:

With dihydrogen peroxide; In ethyl acetate; acetone; at 20 ℃; Title compound not separated from byproducts;

DOI:10.1002/chem.200500095

upstream raw materials:

1-Decene

acetic acid 2-acetoxy-decyl ester

4-octyl-1,3-dioxolan-2-one

caprinaldehyde

Downstream raw materials:

C₁₇H₂₈O₄S