Isopropyl crotonate

Base Information

• Chemical Name: Isopropyl crotonate
• CAS No.: 18060-77-0
• Molecular Formula: C₇H₁₂O₂
• Molecular Weight: 128.171
• European Community (EC) Number: 241-970-7,613-088-6
• NSC Number: 7408
• UNII: 07NNM0226D
• DSSTox Substance ID: DTXSID801020077
• Nikkaji Number: J432.534F,J100.648G
• Wikidata: Q106631512
• Mol file: 18060-77-0.mol

Synonyms:Isopropyl crotonate;Crotonic Acid Isopropyl Ester;6284-46-4;18060-77-0;Crotonic acid, isopropyl ester;2-Butenoic acid, 1-methylethyl ester, (2E)-;propan-2-yl (E)-but-2-enoate;isopropylcrotonate;1-Methylethyl (2E)-2-butenoate;Isopropyl crotonate, (E)-;2-Butenoic acid, 1-methylethyl ester;07NNM0226D;NSC-7408;(E)-2-Butenoic acid isopropyl ester;Crotonic acid, isopropyl ester, (E)-;isopropyl but-2-enoate;ALUMINUMTITANATE;(EZ)-isopropyl crotonate;(E)-isopropyl but-2-enoate;Isopropyl (2E)-2-butenoate;SCHEMBL690460;SCHEMBL690461;UNII-07NNM0226D;2-Butenoic acid isopropyl ester;Isopropyl (2E)-2-butenoate #;NSC7408;CH3CH=CHC(O)OCH(CH3)2;DTXSID801020077;Isopropyl 2-butenoate, AldrichCPR;trans-Crotonic acid isopropyl ester;NSC 7408;MFCD00059053;Crotonic acid, isopropyl ester, trans;AKOS025295571;BS-23505;CS-0158289;L10146;Q10261808;2-Butenoic acid, 2-methyl-, 1-methylethyl ester, (R)-

Chemical Property of Isopropyl crotonate

Chemical Property:

• Boiling Point: 142.7 °C at 760 mmHg
• Flash Point: 40 °C
• PSA: 26.30000
• Density: 0.905 g/cm³
• LogP: 1.51410
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

ISOPROPYL CROTONATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Isopropyl crotonate

There total 4 articles about Isopropyl crotonate 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: 43.5%

2-butenoic acid (3724-65-0) + isopropyl alcohol (67-63-0,8013-70-5) → crotonic acid isopropyl ester (6284-46-4,17377-84-3,18060-77-0)

Guidance literature:

Reference yield:

(E)-but-2-enoic acid (107-93-7) + isopropyl alcohol (67-63-0,8013-70-5) → crotonic acid isopropyl ester (6284-46-4,17377-84-3,18060-77-0)

Guidance literature:

Reference yield:

(E)-but-2-enoic acid (107-93-7) → propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + crotonic acid isopropyl ester (6284-46-4,17377-84-3,18060-77-0) + isopropyl alcohol (67-63-0,8013-70-5) + 3-Hydroxybutyric acid (300-85-6,625-71-8,26063-00-3,29435-48-1)

Guidance literature:

With water; at 230 ℃; for 1h; Product distribution; 1M Solution of acid.;

upstream raw materials:

2-butenoic acid

isopropyl alcohol

(E)-but-2-enoic acid

(R)-3-acetoxybutyric acid methyl ester

Downstream raw materials:

4,4,4-Trichloro-3-methyl-butyric acid isopropyl ester

Refernces

• 1、 Dong, Xiang,Robinson, Jerome R.. "The role of neutral donor ligands in the isoselective ring-opening polymerization of: Rac -β-butyrolactone". . p. 8184 - 8195. Retrieved 2020/09/07.
• 2、 Salov, V. N.,Zil'berman, E. N.,Usova, N. Yu.. "HIGH-TEMPERATURE TRANSFORMATIONS OF ALKYL-SUBSTITUTED ACRYLIC ACIDS IN AQUEOUS SOLUTIONS". . p. 1778 - 1780. Retrieved 2007/10/02.