2-Hexyl-1-decanol

Base Information

• Chemical Name: 2-Hexyl-1-decanol
• CAS No.: 2425-77-6
• Deprecated CAS: 123897-19-8,179606-93-0,179606-98-5,179606-98-5
• Molecular Formula: C16H34O
• Molecular Weight: 242.445
• European Community (EC) Number: 219-370-1
• NSC Number: 2399
• UNII: 151Z7P1317
• DSSTox Substance ID: DTXSID1041265
• Nikkaji Number: J216.071D
• Wikidata: Q27251672
• RXCUI: 1363575
• Metabolomics Workbench ID: 132011
• ChEMBL ID: CHEMBL3560208
• Mol file: 2425-77-6.mol

Synonyms:2-hexyl-1-decanol;hexyldecanol

Chemical Property of 2-Hexyl-1-decanol

Chemical Property:

• Vapor Pressure: 8.34E-05mmHg at 25°C
• Melting Point: -21~ -15 °C(lit.)
• Refractive Index: n20/D 1.449(lit.)
• Boiling Point: 304.4 °C at 760 mmHg
• PKA: 15.08±0.10(Predicted)
• Flash Point: 118.6 °C
• PSA: 20.23000
• Density: 0.836 g/cm³
• LogP: 5.31590
• Storage Temp.: Refrigerator
• Solubility.: Benzene (Sparingly), Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 242.260965704
• Heavy Atom Count: 17
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

2-Hexyl-1-decanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CCCCCCCCC(CCCCCC)CO
• Uses: A compound isolated from different parts of Lonicera japonica Thunb. A compound isolated from different parts of Lonicera japonica Thunb. It is used in cosmetic and pharmaceutical preparations. 2-Hexyl-1-decanol may be employed as an organic solvent to study the extraction of non-polar acidic drugs from human plasma by parallel artificial liquid membrane extraction (PALME).

Technology Process of 2-Hexyl-1-decanol

There total 27 articles about 2-Hexyl-1-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: 82.0%

methyl 2-hexyldecanoate (54889-76-8) → 2-hexyldecan-1-ol (2425-77-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Heating;

Reference yield: 81.0%

octanol (111-87-5) → 2-hexyldecan-1-ol (2425-77-6)

Guidance literature:

With dichloro(pentamethylcyclopentadienyl) iridium; potassium tert-butylate; 1,7-Octadiene; In para-xylene; at 120 ℃; for 4h;

DOI:10.1021/jo061400t

Reference yield: 75.0%

Octanal (124-13-0) → 2-hexyldecan-1-ol (2425-77-6)

Guidance literature:

With C₁₉H₂₉N₄Ru⁽¹⁺⁾*C₂₄H₂₀B^(1-); potassium hydroxide; In isopropyl alcohol; at 80 ℃; for 2h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.organomet.1c00045

upstream raw materials:

octanol

Octanal

benzyl alcohol

methyl 2-hexyldecanoate

Downstream raw materials:

7-(bromomethyl)pentadecane

4-(2-hexyldecyloxy)-4'-methoxybenzil

4,4'-di(2-hexyldecyloxy)benzil

2-(2-hexyldecyl)thiophene

Refernces

• 1、 ?zer, Halenur,Arslan, Dilan,?ztürk, Bengi ?zgün. "Dehydrogenative alcohol coupling and one-pot cross metathesis/dehydrogenative coupling reactions of alcohols using Hoveyda-Grubbs catalysts". . p. 5992 - 6000. Retrieved 2021/04/12.
• 2、 Botubol-Ares, José Manuel,Cordón-Ouahhabi, Safa,Moutaoukil, Zakaria,Collado, Isidro G.,Jiménez-Tenorio, Manuel,Puerta, M. Carmen,Valerga, Pedro. "Methylene-Linked Bis-NHC Half-Sandwich Ruthenium Complexes: Binding of Small Molecules and Catalysis toward Ketone Transfer Hydrogenation". supporting information. p. 792 - 803. Retrieved 2021/04/06.