Methyl (E)-4-decenoate

Base Information

• Chemical Name: Methyl (E)-4-decenoate
• CAS No.: 93979-14-7
• Molecular Formula: C11H20 O2
• Molecular Weight: 184.279
• Hs Code.: 2916190090
• UNII: T880IM6I12
• Nikkaji Number: J1.518.746H,J110.898K
• Wikidata: Q27289806
• Mol file: 93979-14-7.mol

Synonyms:Methyl (E)-4-decenoate;93979-14-7;Methyl trans-4-decenoate;methyl (E)-dec-4-enoate;Methyl 4-decenoate, (4E)-;UNII-T880IM6I12;4-Decenoic acid, methyl ester, (E)-;4-Decenoic acid, methyl ester;4-Decenoic acid, methyl ester, (4E)-;T880IM6I12;METHYL-TRANS-4-DECENOATE;(4E)-methyl 4-decenoate;Methyl 4-decenoate (trans);4-Decenoic acid methyl ester;Methyl-deca-4-enoate (trans);SCHEMBL1929342;Methyl ester of 4-Decenoic acid;CRHITZQXHNFRAZ-BQYQJAHWSA-N;(E)-4-Decenoic acid methyl ester;1191-02-2;Q27289806

Chemical Property of Methyl (E)-4-decenoate

Chemical Property:

• Appearance/Colour: White powder
• Boiling Point: 217 oC
• Flash Point: 69 oC
• PSA: 26.30000
• Density: 0.889
• LogP: 3.07610
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

METHYL-TRANS-4-DECENOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCCC(=O)OC
• Isomeric SMILES: CCCCC/C=C/CCC(=O)OC

Technology Process of Methyl (E)-4-decenoate

There total 12 articles about Methyl (E)-4-decenoate 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: 99.5%

Trimethyl orthoacetate (1445-45-0) + 1-octen-3-ol (3391-86-4) → methyl (4E)-dec-4-enoate (93979-14-7)

Guidance literature:

With propionic acid; at 125 ℃; for 2h; Temperature;

Reference yield:

trans-4-decenal (65405-70-1) → methyl (4E)-dec-4-enoate (93979-14-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaClO₂; NaH₂PO₄; 2-methylbut-2-ene / 2-methyl-propan-2-ol / 18 h / 20 °C

2: HCl

With hydrogenchloride; sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; In tert-butyl alcohol;

DOI:10.1002/hlca.200390189

Reference yield:

n-pentylmagnesium bromide (693-25-4) → methyl (4E)-dec-4-enoate (93979-14-7)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / Ambient temperature

2: propionic acid / 100 - 105 °C

With propionic acid; In diethyl ether;

upstream raw materials:

methanol

(E)-4-decenoic acid

Trimethyl orthoacetate

1-octen-3-ol

Downstream raw materials:

(E)-4-decenoic acid

methyl hydrogen succinate

hexanoic acid

5-hexyldihydro-2(3H)-furanone