FEMA 3354

Base Information

• Chemical Name: FEMA 3354
• CAS No.: 19089-92-0
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• European Community (EC) Number: 240-997-1,242-808-8
• DSSTox Substance ID: DTXSID5066455
• Wikidata: Q72482307
• Mol file: 19089-92-0.mol

Synonyms:Crotonicacid, hexyl ester (7CI,8CI); Hexyl 2-butenoate; Hexyl crotonate; NSC 67983

Chemical Property of FEMA 3354

Chemical Property:

• Vapor Pressure: 0.146mmHg at 25°C
• Melting Point: -89.9°C (estimate)
• Refractive Index: n20/D 1.438(lit.)
• Boiling Point: 215.6 ºC at 760 mmHg
• Flash Point: 193 ºF
• PSA: 26.30000
• Density: 0.885 g/mL at 25 °C(lit.)
• LogP: 2.68600
• 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:

99% ^*data from raw suppliers

Hexyl trans-2-butenoate ≥95%, FG ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Low toxicity by ingestion and skin contact. A skin irritant.
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCOC(=O)C=CC
• Uses: Food additive.

Technology Process of FEMA 3354

There total 3 articles about FEMA 3354 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: 90.0%

methyl crotonate (623-43-8,4358-59-2,18707-60-3,130981-57-6) + hexan-1-ol (111-27-3) → hexyl but-2-enoate (19089-92-0)

Guidance literature:

With SO₃H and NH₂⁺ functional carbon-based solid acid; at 120 ℃; for 16h;

DOI:10.1039/c5ra13839f

Reference yield: 54.0%

hexyl but-3-enoate → hexyl but-2-enoate (19089-92-0)

Guidance literature:

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; polydimethylsiloxane; In methanol; water; at 50 ℃; for 20h;

DOI:10.1016/j.jorganchem.2006.09.022

Reference yield:

→ hexyl but-2-enoate (19089-92-0)

Guidance literature:

aus Crotonsaeure, CH3(CH2)5OH;

upstream raw materials:

methyl crotonate

hexan-1-ol

Refernces

• 1、 Brett Runge,Mwangi, Martin T.,Bowden, Ned B.. "New selectivities from old catalysts. Occlusion of Grubbs' catalysts in PDMS to change their reactions". . p. 5278 - 5288. Retrieved 2007/10/03.