1,16-Hexadecanediol

Base Information

• Chemical Name: 1,16-Hexadecanediol
• CAS No.: 7735-42-4
• Molecular Formula: C16H34O2
• Molecular Weight: 258.445
• European Community (EC) Number: 231-794-9
• UNII: Z799LHM79S
• DSSTox Substance ID: DTXSID7064788
• Nikkaji Number: J150.914D
• Wikidata: Q72482290
• Metabolomics Workbench ID: 134660
• ChEMBL ID: CHEMBL448715
• Mol file: 7735-42-4.mol

Synonyms:1,16-Hexadecanediol;7735-42-4;Hexadecane-1,16-diol;1,16-Dihydroxyhexadecane;Hexadecamethylene glycol;23079-20-1;Z799LHM79S;C16H34O2;EINECS 231-794-9;MFCD00002821;1,16-Hexydecanediol;1,16 Hexadecandiol;hexadecan-1,16-diol;1,16-hexadecane-diol;alpha,omega-hexadecanediol;UNII-Z799LHM79S;SCHEMBL318857;1,16-Hexadecanediol, 97%;CHEMBL448715;QSPL 082;DTXSID7064788;CHEBI:195244;AMY37896;AKOS015856534;AS-57115;SY051530;Urea, compounded with 1,16-hexadecanediol;CS-0158377;FT-0606055;H0552;T72930;A904674

Chemical Property of 1,16-Hexadecanediol

Chemical Property:

• Melting Point: 91-94 °C(lit.)
• Refractive Index: 1.4760 (estimate)
• Boiling Point: 361.9°Cat760mmHg
• PKA: 14.90±0.10(Predicted)
• Flash Point: 164.9°C
• PSA: 40.46000
• Density: 0.898g/cm³
• LogP: 4.43240
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: almost transparency in hot Methanol
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 258.255880323
• Heavy Atom Count: 18
• Complexity: 121

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,16-Hexadecanediol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCCCCCCCO)CCCCCCCO
• Uses: 1,16-Hexadecanediol was used to activate Mps1 MAP kinase pathway. It was also used to accumulate BChl c monoesterified with the corresponding diols.

Technology Process of 1,16-Hexadecanediol

There total 18 articles about 1,16-Hexadecanediol 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: 99.0%

15-hexadecanolide (109-29-5) → 1,16-hexadecanediol (7735-42-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 0.5h; Reflux;

DOI:10.1002/chem.201301914

Reference yield: 98.0%

16-hydroxyhexadecanoic acid methyl ester (36575-67-4) → 1,16-hexadecanediol (7735-42-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 2h;

DOI:10.1021/jo010260e

Reference yield: 96.0%

thapsic acid (505-54-4) → 1,16-hexadecanediol (7735-42-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 4h; Reflux;

DOI:10.1002/jlcr.3885

upstream raw materials:

16-hydroxyhexadecanoic acid methyl ester

dimethyl hexadecanedioate

9-hydroxynonanoic acid

azelaic acid monoethyl ester

Downstream raw materials:

tyromycin A

1,16-bis[4-methyl-2,5-doxo-1-p-tolylpyrrol-3-yl]hexadecane

4-(16-hydroxy-hexadecyloxy)-benzaldehyde

1,16-dibromohexadecane

Refernces

• 1、 Brockhausen, Inka,Kocev, Alexander,Kong, Xianqi,Melamed, Jacob,Szarek, Walter A.,Vlahakis, Jason Z.,Wang, Shuo,Xu, Yaozu. "Inhibition of bacterial growth and galactosyltransferase activity of WbwC by α, ω-bis(3-alkyl-1H-imidazolium)alkane salts: Effect of varying carbon content". . . Retrieved 2020/04/21.
• 2、 -. "METHOD OF CYCLIC COMPOUNDS PRODUCTION IN OLEFINE METATHESIS REACTION AND USE OF RUTHENIUM CATALYSTS IN PRODUCTION OF CYCLIC OLEFINS IN OLEFINE METATHESIS REACTION". Page/Page column 70. . Retrieved 2018/11/22.