3,5,5-Trimethylhexyl acrylate

Base Information

• Chemical Name: 3,5,5-Trimethylhexyl acrylate
• CAS No.: 45125-03-9
• Molecular Formula: C12H22O2
• Molecular Weight: 198.30200
• Hs Code.: 2916129000
• European Community (EC) Number: 693-543-3
• DSSTox Substance ID: DTXSID50402772
• Nikkaji Number: J799.726D
• Mol file: 45125-03-9.mol

Synonyms:3,5,5-Trimethylhexyl acrylate;45125-03-9;3,5,5-trimethylhexyl Prop-2-enoate;2-Propenoic acid, 3,5,5-trimethylhexyl ester;3,5,5-trimethylhexylacrylate;SCHEMBL231256;DTXSID50402772;VBA12503;MFCD00080661;AKOS025295341;AM10874;Acrylic acid 3,5,5-trimethylhexyl ester;AS-66468;F71606;3,5,5-Trimethylhexyl acrylate, contains 15-20 ppm monomethyl ether hydroquinone as inhibitor, technical grade

Chemical Property of 3,5,5-Trimethylhexyl acrylate

Chemical Property:

• Melting Point: -34°C (lit.)
• Refractive Index: n20/D1.437(lit.)
• Boiling Point: 55°C/0.4 mmHg(lit.)
• Flash Point: 89℃
• PSA: 26.30000
• Density: 0.875 g/mL at 25 °C (lit.)
• LogP: 3.17800
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 189

Purity/Quality:

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

3,5,5-Trimethylhexyl acrylate technical grade ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N
• Statements: 36/37/38-51/53
• Safety Statements: 26-28-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCOC(=O)C=C)CC(C)(C)C

Technology Process of 3,5,5-Trimethylhexyl acrylate

There total 1 articles about 3,5,5-Trimethylhexyl acrylate 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:

→ 3,5,5-trimethylhexyl acrylate (45125-03-9)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 2h; Cooling with ice;

Reference yield: 81.0%

3,5,5-trimethylhexyl acrylate (45125-03-9) + 2-ethylbenzaldehyde (22927-13-5) → 3,4,4-trimethylpentyl 3-(3-ethylphenyl) dihydrocinnamate

Guidance literature:

With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; manganese(III) triacetate dihydrate; silver(I) triflimide; In water; 1,2-dichloro-ethane; at 130 ℃; for 16h; regioselective reaction; Sealed tube;

DOI:10.1021/acs.orglett.9b04433