1-Heptadecanol

Base Information

• Chemical Name: 1-Heptadecanol
• CAS No.: 1454-85-9
• Molecular Formula: C17H36O
• Molecular Weight: 256.472
• Hs Code.: 2905199090
• European Community (EC) Number: 215-932-5
• NSC Number: 3921
• UNII: N3IL85TMCX
• DSSTox Substance ID: DTXSID3051460
• Nikkaji Number: J7.496I
• Wikipedia: 1-Heptadecanol
• Wikidata: Q20054528
• Metabolomics Workbench ID: 130012
• ChEMBL ID: CHEMBL278989
• Mol file: 1454-85-9.mol

Synonyms:1-Heptadecanol;Heptadecan-1-ol;1454-85-9;Heptadecanol;HEPTADECYL ALCOHOL;n-Heptadecanol;1-Hydroxyheptadecane;C17H36O;NSC 3921;EINECS 215-932-5;UNII-N3IL85TMCX;N3IL85TMCX;AI3-01234;CHEBI:77470;NSC-3921;n-Heptadecanol-1;n-heptadecyl alcohol;MFCD00002822;MARGARIC ALCOHOL;1-Heptadecanol, 98%;DSSTox_CID_8323;HEPTADECANOL, 1-;DSSTox_GSID_28323;SCHEMBL29893;CHEMBL278989;DTXSID3051460;AMY5933;NSC3921;Tox21_303960;AKOS015899030;CS-W004296;HY-W004296;NCGC00356985-01;LS-74184;LS-74185;1-Heptadecanol, purum, >=97.0% (GC);CAS-67762-27-0;FT-0607873;H0018;O11822;A884612;J-008119;Q20054528;60EE1D22-0C43-4AEE-B6F6-FBD44178F59F

Chemical Property of 1-Heptadecanol

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 51-55 °C(lit.)
• Boiling Point: 308 °C at 760 mmHg
• Flash Point: >230 °F
• PSA: 20.23000
• Density: 0.836 g/cm³
• LogP: 5.85010
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 256.276615768
• Heavy Atom Count: 18
• Complexity: 134

Purity/Quality:

98%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Heptadecanol

There total 26 articles about 1-Heptadecanol 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: 89.5%

1-Bromoheptane (629-04-9) + 1-bromo-10-decanol (53463-68-6) → 1-Heptadecanol (1454-85-9)

Guidance literature:

1-Bromoheptane; With magnesium; In tetrahydrofuran; for 1h; Heating;

1-bromo-10-decanol; With dilithium tetrachlorocuprate; In tetrahydrofuran; at -40 - 20 ℃; for 14h;

DOI:10.1016/j.tet.2006.03.007

Reference yield: 84.0%

1,1,3,3-Tetramethyldisiloxane (3277-26-7) + heptadecanoic acid (506-12-7) → 1-Heptadecanol (1454-85-9)

Guidance literature:

1,1,3,3-Tetramethyldisiloxane; heptadecanoic acid; With C₂₄H₂₃ClCrIrNO₃; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; In dichloromethane; at 40 ℃; for 15h; Schlenk technique; Glovebox; Inert atmosphere;

With water; In dichloromethane; at 25 ℃; for 1h;

DOI:10.1002/ejoc.201700801

Reference yield: 66.0%

C20H40O3 → 1-Heptadecanol (1454-85-9)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2013.11.074

upstream raw materials:

1-bromoheptadecane

silver(I) acetate

butyl heptadecanoate

heptadecan-1-amine hydrochloride

Downstream raw materials:

1-bromoheptadecane

heptadecanoic acid

4-nitro-benzoic acid heptadecyl ester

triheptadecyl benzene-1,3,5-tricarboxylate

Refernces

• 1、 Hirosawa, Keishi,Mashima, Kazushi,Satoh, Tetsuya,Shinohara, Koichi,Shirase, Satoru,Tamaki, Sota,Tsurugi, Hayato. "Cerium(IV) Carboxylate Photocatalyst for Catalytic Radical Formation from Carboxylic Acids: Decarboxylative Oxygenation of Aliphatic Carboxylic Acids and Lactonization of Aromatic Carboxylic Acids". supporting information. . Retrieved 2020/03/25.
• 2、 Corre, Yann,Rysak, Vincent,Trivelli, Xavier,Agbossou-Niedercorn, Francine,Michon, Christophe. "A Versatile Iridium(III) Metallacycle Catalyst for the Effective Hydrosilylation of Carbonyl and Carboxylic Acid Derivatives". supporting information. p. 4820 - 4826. Retrieved 2017/09/07.