1,12-Octadecanediol

Base Information

• Chemical Name: 1,12-Octadecanediol
• CAS No.: 2726-73-0
• Molecular Formula: C18H38 O2
• Molecular Weight: 286.499
• Hs Code.: 2905399090
• European Community (EC) Number: 220-342-6
• NSC Number: 8551
• UNII: UN9IN5VLYE
• DSSTox Substance ID: DTXSID401036200
• Nikkaji Number: J299.198E
• Wikidata: Q27291159
• Mol file: 2726-73-0.mol

Synonyms:1,12-Octadecanediol;2726-73-0;Octadecane-1,12-diol;12-Hydroxystearyl alcohol;hydroxystearyl alcohol;UN9IN5VLYE;UNII-UN9IN5VLYE;NSC-8551;EINECS 220-342-6;AI3-31773;Alfol A;LOXANOL;1,12-dihydroxyoctadecan;SIMULGREEN 18-2;SOVERMOL 912;SCHEMBL42890;1,12-Dihydroxyoctadecane,tech;1, 12-OCATADECANEDIOL;NSC8551;DTXSID401036200;NSC 8551;12-Hydroxystearyl alcohol, >=99%;HYDROXYSTEARYL ALCOHOL [INCI];AKOS028108597;HY-W127434;CS-0185666;FT-0634459;(S)-Oxynitrilase from Manihot esculenta (manioc);W-109818;Q27291159

Chemical Property of 1,12-Octadecanediol

Chemical Property:

• Vapor Pressure: 1.33E-07mmHg at 25°C
• Melting Point: 79.5-80℃
• Boiling Point: 387.5°Cat760mmHg
• PKA: 15.20±0.10(Predicted)
• Flash Point: 163.5°C
• PSA: 40.46000
• Density: 0.892g/cm³
• LogP: 5.21100
• Water Solubility.: 35.01μg/L at 20℃
• XLogP3: 7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 286.287180451
• Heavy Atom Count: 20
• Complexity: 171

Purity/Quality:

98% ^*data from raw suppliers

12-Hydroxystearyl alcohol ≥99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CCCCCCCCCCCO)O

Technology Process of 1,12-Octadecanediol

There total 9 articles about 1,12-Octadecanediol 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: 95.0%

12-Hydroxystearic acid (106-14-9,78642-86-1,8039-23-4,27924-99-8,860114-96-1) → 1,12-octadecanediol (2726-73-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 17h;

DOI:10.1039/d1cc02770k

Reference yield: 69.0%

1,12-diacetoxy-octadecane (20295-02-7) → 1,12-octadecanediol (2726-73-0) + acetic acid 1-hexyl-12-hydroxy-dodecyl ester

Guidance literature:

With ytterbium(III) triflate; In isopropyl alcohol; for 30h; Heating;

DOI:10.1055/s-1999-2975

Reference yield:

→ 1,12-octadecanediol (2726-73-0)

Guidance literature:

With copper chromite; at 250 ℃; under 147102 - 220652 Torr; Hydrogenation;

upstream raw materials:

(9Z,12R)-octadec-9-ene-1,12-diol

Ricinoleic acid

12-hydroxyoctadecanal

1,12-diacetoxy-octadecane

Downstream raw materials:

heptadecan-7-one

hepatdecane

1,12-octadecanediol divinyl ether

18-ethoxy-octadecan-7-ol

Refernces

• 1、 Ardiansah, Bayu,Kakiuchi, Kiyomi,Morimoto, Tsumoru,Tanimoto, Hiroki,Tomohiro, Takenori. "Sulfonium ion-promoted traceless Schmidt reaction of alkyl azides". supporting information. p. 8738 - 8741. Retrieved 2021/09/08.
• 2、 Yu, Jianjin,Li, Chao-Jun,Zeng, Huiying. "Dearomatization-Rearomatization Strategy for ortho-Selective Alkylation of Phenols with Primary Alcohols". supporting information. p. 4043 - 4048. Retrieved 2020/12/18.