2-Butenoic acid, hexyl ester, (2Z)-

Base Information

• Chemical Name: 2-Butenoic acid, hexyl ester, (2Z)-
• CAS No.: 16930-96-4
• Molecular Formula: C11H20 O2
• Molecular Weight: 184.279
• Hs Code.: 2916190090
• European Community (EC) Number: 240-997-1,242-808-8
• NSC Number: 67983
• UNII: 131FD67L83
• DSSTox Substance ID: DTXSID90885565
• Nikkaji Number: J422.304G
• Metabolomics Workbench ID: 47270
• Mol file: 16930-96-4.mol

Synonyms:Hexyl crotonate;2-Butenoic acid, hexyl ester, (2Z)-;Hexyl 2-butenoate, (2Z)-;33855-58-2;2-Butenoic acid, hexyl ester, (Z)-;UNII-131FD67L83;HEXYL (2Z)-BUT-2-ENOATE;131FD67L83;hexyl 2 - butenoate;Hexyl trans-2-butenoate;19089-92-0;NSC-67983;(2Z)-hexyl 2-butenoate;CIS-HEXYL CROTONATE;Hexyl (2E)-2-butenoate;Fema 3354;Hexyl ester(e)-Crotonic acid;SCHEMBL1532610;Hexyl ester(Z)-2-Butenoic acid;DTXSID90885565;(Z)-2-Butenoic acid hexyl ester;Hexyl ester(2E)-2-Butenoic acid;Hexyl ester(2Z)-2-Butenoic acid;NSC67983;ENT-33320;LMFA07010909;CROTONIC ACID, HEXYL ESTER, (Z)-;Q27251458

Chemical Property of 2-Butenoic acid, hexyl ester, (2Z)-

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 0.0519mmHg at 25°C
• Refractive Index: n20/D 1.446(lit.)
• Boiling Point: 234.8 °C at 760 mmHg
• Flash Point: 98.3 °C
• PSA: 26.30000
• Density: 0.894 g/mL at 25 °C(lit.)
• LogP: 3.07610
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

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

Hexyl tiglate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCOC(=O)C=CC
• Isomeric SMILES: CCCCCCOC(=O)/C=C\C

Technology Process of 2-Butenoic acid, hexyl ester, (2Z)-

There total 1 articles about 2-Butenoic acid, hexyl ester, (2Z)- 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: 93.0%

trans-2-Hexenyl tiglate → hexyl angelate (16930-96-4,65652-33-7)

Guidance literature:

With hydrogen; RhCl(PPh₃)3; In benzene; at 20 ℃; for 15h; under 760 Torr;

DOI:10.1021/ja068901g

Refernces