SEBACIC ACID MONOMETHYL ESTER

Base Information

• Chemical Name: SEBACIC ACID MONOMETHYL ESTER
• CAS No.: 818-88-2
• Molecular Formula: C11H20O4
• Molecular Weight: 216.277
• Hs Code.: 2918990090
• European Community (EC) Number: 212-458-0
• UNII: 8PZ9NUI78J
• DSSTox Substance ID: DTXSID401002231
• Nikkaji Number: J21.784K
• Wikidata: Q82996339
• Mol file: 818-88-2.mol

Synonyms:Decanedioicacid, monomethyl ester (9CI);Sebacic acid, methyl ester (6CI,7CI);Sebacicacid, monomethyl ester (8CI);9-(Carbomethoxy)nonanoic acid;9-(Methoxycarbonyl)nonanoic acid;Decanedioic acid methyl hydrogen ester;Methyl 9-carboxynonanoate;Methyl hydrogen sebacate;Monomethyl decanedioate;Monomethyl sebacate;

Chemical Property of SEBACIC ACID MONOMETHYL ESTER

Chemical Property:

• Appearance/Colour: White crystalline solid
• Vapor Pressure: 2.8E-05mmHg at 25°C
• Melting Point: 41-44 °C(lit.)
• Refractive Index: 1.453
• Boiling Point: 336 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 119 °C
• PSA: 63.60000
• Density: 1.024 g/cm³
• LogP: 2.36480
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 216.13615911
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

99.0% ^*data from raw suppliers

10-Methoxy-10-oxodecanoicAcid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: COC(=O)CCCCCCCCC(=O)O

Technology Process of SEBACIC ACID MONOMETHYL ESTER

There total 31 articles about SEBACIC ACID MONOMETHYL ESTER 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: 97.0%

methanol (67-56-1) + 1,10-decanedioic acid (111-20-6,26776-29-4) → sebacic acid mono methyl ester (818-88-2)

Guidance literature:

With sulfonated poly-divinylbenzene-co-triallylamine; at 24.84 ℃; for 12h;

DOI:10.1016/j.molcata.2015.10.016

Reference yield: 93.0%

dimethyl sebacate (106-79-6) → sebacic acid mono methyl ester (818-88-2)

Guidance literature:

With sodium hydroxide; phosphate buffer; for 3h; Ambient temperature; pig liver esterase;

DOI:10.1080/00397919508011411

Reference yield: 85.0%

Methyl 10-undecenoate (111-81-9) → sebacic acid mono methyl ester (818-88-2)

Guidance literature:

With potassium permanganate; silica gel; In benzene;

DOI:10.1021/jo00392a041

upstream raw materials:

methanol

1,10-decanedioic acid

dimethyl sebacate

10-oxo-decanoic acid methyl ester

Downstream raw materials:

methyl 18-fluorostearate

16-methylheptadecanoic acid

(S)-(+)-12-methyltetradecanoic acid

14-methylpentadecanoic acid

Refernces

• 1、 Andronova, Valeriya L.,Charushin, Valery N.,Galegov, Georgii А.,Krasnov, Victor P.,Levit, Galina L.,Vozdvizhenskaya, Olga А.. "Synthesis and antiherpetic activity of novel purine conjugates with 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine". . p. 490 - 497. Retrieved 2021/06/26.
• 2、 -. "PYRIDAZINE DERIVATIVES AS SMARCA2/4 DEGRADERS". Page/Page column 91-92; 92. . Retrieved 2019/11/12.