2-Octyl-1-dodecanol

Base Information

• Chemical Name: 2-Octyl-1-dodecanol
• CAS No.: 5333-42-6
• Deprecated CAS: 123897-20-1,125200-13-7,179606-99-6,8039-11-0,114265-32-6,84286-57-7,125200-13-7,179606-99-6,8039-11-0,84286-57-7
• Molecular Formula: C20H42O
• Molecular Weight: 298.553
• Hs Code.: 2905199095
• European Community (EC) Number: 226-242-9
• NSC Number: 2405
• UNII: 461N1O614Y
• DSSTox Substance ID: DTXSID3036288
• Nikkaji Number: J149.440F
• Wikipedia: Octyldodecanol
• Wikidata: Q27258886
• NCI Thesaurus Code: C77483
• RXCUI: 1367124
• Metabolomics Workbench ID: 154822
• ChEMBL ID: CHEMBL1572050
• Mol file: 5333-42-6.mol

Synonyms:2-octyldodecanol;octyl dodecanol

Chemical Property of 2-Octyl-1-dodecanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 1 °C(lit.)
• Refractive Index: n20/D 1.453(lit.)
• Boiling Point: 357.691 °C at 760 mmHg
• PKA: 15.03±0.10(Predicted)
• Flash Point: 129.673 °C
• PSA: 20.23000
• Density: 0.837 g/cm³
• LogP: 6.87630
• Storage Temp.: 2-8°C
• Solubility.: Practically insoluble in water, miscible with ethanol (96 per cent).
• Water Solubility.: 10μg/L at 23℃
• XLogP3: 9.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 298.323565959
• Heavy Atom Count: 21
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

2-Octyldodecane-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(CCCCCCCC)CO
• Uses: 2-Octyl-1-dodecanol have been used as a emulsion stabilizer for polymer matrix patches. 2-Octyldodecane-1-ol have been used as a emulsion stabilizer for polymer matrix patches. 2-Octyl-1-dodecanol may be used to investigate its interaction with the hexameric capsules of resorcin[4]arene. It has been used as diluent in a extractant screening study for the recovery of putrescine (butylene-1,4-diamine, BDA) and cadaverine (pentylene-1,5-diamine, PDA) from aqueous solutions (fermentation broths) by liquid-liquid extraction.

Technology Process of 2-Octyl-1-dodecanol

There total 18 articles about 2-Octyl-1-dodecanol 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: 90.0%

1-Decanol (112-30-1) + nickel (7440-02-0) → 2-octyldodecan-1-ol (5333-42-6,8039-11-0)

Guidance literature:

With sodium hydroxide;

Reference yield: 86.0%

methyl 2-octyldodecanoate → 2-octyldodecan-1-ol (5333-42-6,8039-11-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 2h; Cooling with ice;

Reference yield: 85.0%

→ 2-octyldodecan-1-ol (5333-42-6,8039-11-0)

Guidance literature:

upstream raw materials:

caprinaldehyde

benzyl alcohol

decalin

1-Decanol

Downstream raw materials:

9-(bromomethyl)nonadecane

9-methyl nonadecane

2-octyldodecanoyl chloride

2-octyl-dodecanoic acid

Refernces

• 1、 Kovyazin, Pavel V.,Abdullin, Il'giz N.,Parfenova, Lyudmila V.. "Diastereoselective synthesis of functionally substituted alkene dimers and oligomers, catalysed by chiral zirconocenes". . p. 144 - 152. Retrieved 2018/11/21.
• 2、 -. "GUERBET CONDENSATION REACTION". Page/Page column 17-18; 30. . Retrieved 2017/07/08.