3-Decenoic acid

Base Information

• Chemical Name: 3-Decenoic acid
• CAS No.: 53678-20-9
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.252
• European Community (EC) Number: 239-489-2,258-695-3
• UNII: RRL4HC6FYJ
• DSSTox Substance ID: DTXSID701015916
• Nikkaji Number: J81.868B,J98.043I
• Wikidata: Q27117272
• Metabolomics Workbench ID: 465
• Mol file: 53678-20-9.mol

Synonyms:53678-20-9;3-Decenoic acid;dec-3-enoic acid;(E)-3-Decenoic acid;trans-3-decenoic acid;(E)-dec-3-enoic acid;3-Decenoic acid, (E)-;trans-dec-3-enoic acid;3-decylenic acid;E-3-Decenoic acid;RRL4HC6FYJ;(3E)-dec-3-enoic acid;EINECS 258-695-3;C10:1n-7;(3E)-3-Decenoic acid;3-Decensaeure;dec-3-enoicacid;Dec-3t-ensaeure;Dec-3-ensaeure;dec-3t-enoic acid;trans-Decen-3-saeure;UNII-RRL4HC6FYJ;3-Decenoic acid, (E);3-Decenoic acid, (3E)-;3-Decenoic acid, AldrichCPR;SCHEMBL1162167;SCHEMBL1162171;CHEBI:37809;CHEBI:61200;CPVUNKGURQKKKX-BQYQJAHWSA-N;DTXSID701015916;LMFA01030030;MFCD00051464;AKOS015839567;HY-W127384;C10:1, n-7;C10:1 (n-7);CS-0185621;D1186;10:1, n-7;10:1 (n-7);J-009134;Q27117272

Chemical Property of 3-Decenoic acid

Chemical Property:

• Boiling Point: 278.5°Cat760mmHg
• Flash Point: 175.7°C
• PSA: 37.30000
• Density: 0.936g/cm³
• LogP: 2.98770
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s): 1722688
• Hazard Codes: Xi
• Statements: 34-52/53-41
• Safety Statements: 26-36/37/39-45-61-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC=CCC(=O)O
• Isomeric SMILES: CCCCCC/C=C/CC(=O)O

Technology Process of 3-Decenoic acid

There total 18 articles about 3-Decenoic acid 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: 98.0%

but-3-enoic acid (625-38-7) + oct-1-ene (111-66-0,25068-25-1) → (3E)-dec-3-enoic acid (2430-93-5,15469-77-9,53678-20-9)

Guidance literature:

PCy₃RuCl₂=CH-Ph(diMes-Im); In dichloromethane; for 24h; Heating;

DOI:10.1016/j.tetlet.2007.01.152

Reference yield: 88.0%

Octanal (124-13-0) + malonic acid (141-82-2) → (3E)-dec-3-enoic acid (2430-93-5,15469-77-9,53678-20-9)

Guidance literature:

With silica gel; for 0.0833333h; Irradiation;

DOI:10.1016/S0040-4039(99)00113-6

Reference yield: 78.0%

(Z)-3-decenoic acid methyl ester (72175-11-2) → trans-2-decenoic acid (334-49-6) + (Z)-dec-3-enoic acid (2430-93-5) + (3E)-dec-3-enoic acid (2430-93-5,15469-77-9,53678-20-9)

Guidance literature:

With potassium hydroxide; In methanol; for 0.333333h; Yields of byproduct given;

DOI:10.1016/0968-0896(96)00016-8

upstream raw materials:

3-Decenal

(2E,4E)-deca-2,4-dienoic acid

Octanal

malonic acid

Downstream raw materials:

trans-3-decen-1-ol

heptanal

hexanal

dodec-5E-en-1-ol

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