1-Eicosanol

Base Information

• Chemical Name: 1-Eicosanol
• CAS No.: 629-96-9
• Molecular Formula: C20H42O
• Molecular Weight: 298.553
• Hs Code.: 2905.29
• European Community (EC) Number: 211-119-4
• NSC Number: 120887
• UNII: 1QR1QRA9BU
• DSSTox Substance ID: DTXSID0027272
• Nikkaji Number: J11.549E
• Wikipedia: Arachidyl_alcohol
• Wikidata: Q4783532
• RXCUI: 1368131
• Metabolomics Workbench ID: 3311
• ChEMBL ID: CHEMBL451717
• Mol file: 629-96-9.mol

Synonyms:1-EICOSANOL;Icosan-1-ol;629-96-9;Arachidyl alcohol;Arachidic alcohol;EICOSANOL;Arachic alcohol;Eicosyl alcohol;N-Eicosanol;eicosan-1-ol;1-Icosanol;N-1-Eicosanol;Pri-N-eicosyl alcohol;Eicosanol-(1);NSC 120887;28679-05-2;HSDB 5731;EINECS 211-119-4;UNII-1QR1QRA9BU;1QR1QRA9BU;AI3-36485;CHEBI:75627;NSC-120887;EC 211-119-4;Arachinyl alcohol;MFCD00002938;a-eicosanol;1-Ecosanol;1-Prydroxyeicosane;n-eicosan-1-ol;C20 Alcohol;Icosan- 1- ol;1-Eicosanol, 98%;1-EICOSANOL [HSDB];SCHEMBL108302;CHEMBL451717;QSPL 202;1-icosanol (ACD/Name 4.0);ARACHIDYL ALCOHOL [INCI];DTXSID0027272;AMY5920;ARACHIDYL ALCOHOL [USP-RS];LMFA05000221;NSC120887;AKOS015839826;CS-W004263;HY-W004263;1-Eicosanol, technical, >=90% (GC);1-Eicosanol, purum, >=97.0% (GC);BS-51501;LS-169055;E0004;FT-0607717;H10676;Q4783532;W-104943;ABA1F4B5-39FD-4206-A0A7-70D182257EEE;Arachidyl alcohol, United States Pharmacopeia (USP) Reference Standard

Chemical Property of 1-Eicosanol

Chemical Property:

• Appearance/Colour: white fluffy crystalline powder
• Vapor Pressure: 5.97E-05mmHg at 25°C
• Melting Point: 62-65 °C(lit.)
• Refractive Index: 1.452
• Boiling Point: 309 °C at 760 mmHg
• Flash Point: 141.6 °C
• PSA: 20.23000
• Density: 0.838 g/cm³
• LogP: 7.02040
• XLogP3: 9.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 18
• Exact Mass: 298.323565959
• Heavy Atom Count: 21
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCO

Technology Process of 1-Eicosanol

There total 16 articles about 1-Eicosanol 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: 41.0%

2-Octadecylidene-dithiomalonic acid di-S-ethyl ester (137324-72-2) → n-eicosanol (629-96-9)

Guidance literature:

Ra-Ni; for 0.166667h;

DOI:10.1080/00397919108019815

Reference yield: 17.66%

icosane (112-95-8) + n-docosane (629-97-0) + n-hexacosane (630-01-3) + Tridecane (629-50-5) + octadecane (593-45-3) + tetracosane (646-31-1) + octacosane (630-02-4) + n-triacontane (638-68-6) → 1-octadecanol (112-92-5) + n-eicosanol (629-96-9) + melissyl alcohol (593-50-0) + 1-docosanol (661-19-8) + tetracosyl alcohol (506-51-4) + hexacosyl alcohol (506-52-5) + octacosyl alcohol (557-61-9)

Guidance literature:

icosane; n-docosane; n-hexacosane; octadecane; tetracosane; octacosane; n-triacontane; With oxygen; at 30 - 50 ℃; for 0.5h; under 1575.16 Torr;

Tridecane; With titanium(IV) isopropylate; at 30 - 50 ℃; for 6.86667h; under 1575.16 - 3750.38 Torr;

With sulfuric acid; water; at 80 ℃; Product distribution / selectivity;

Reference yield: 12.4%

icosane (112-95-8) + n-docosane (629-97-0) + n-hexacosane (630-01-3) + octadecane (593-45-3) + tetracosane (646-31-1) + octacosane (630-02-4) + n-triacontane (638-68-6) → 1-octadecanol (112-92-5) + n-eicosanol (629-96-9) + melissyl alcohol (593-50-0) + 1-docosanol (661-19-8) + tetracosyl alcohol (506-51-4) + hexacosyl alcohol (506-52-5) + octacosyl alcohol (557-61-9)

Guidance literature:

icosane; n-docosane; n-hexacosane; octadecane; tetracosane; octacosane; n-triacontane; With oxygen; at 30 - 50 ℃; for 3h; under 1575.16 - 3675.37 Torr;

With sulfuric acid; water; Product distribution / selectivity;

upstream raw materials:

oxirane

1-octadecylmagnesium bromide

Arachidic acid

ethyl eicosanoate

Downstream raw materials:

mono-eicosyl ortho-phthalate

1-iodoeicosane

1-Bromoeicosane

Arachidic acid

Refernces

• 1、 Hu, Caijuan,Li, Guoxun,Mu, Yu,Wu, Wenxi,Cao, Bixuan,Wang, Zixuan,Yu, Hainan,Guan, Peipei,Han, Li,Li, Liya,Huang, Xueshi. "Discovery of Anti-TNBC Agents Targeting PTP1B: Total Synthesis, Structure-Activity Relationship, in Vitro and in Vivo Investigations of Jamunones". supporting information. p. 6008 - 6020. Retrieved 2021/05/06.
• 2、 -. "METHOD FOR THE PRODUCTION OF PRIMARY LONG-CHAIN ALCOHOLS". Page/Page column 11-12. . Retrieved 2010/02/15.