5-Methyl-2-(prop-1-EN-2-YL)hex-4-EN-1-YL 3-methylbut-2-enoate

Base Information

• Chemical Name: 5-Methyl-2-(prop-1-EN-2-YL)hex-4-EN-1-YL 3-methylbut-2-enoate
• CAS No.: 23960-07-8
• Molecular Formula: C15H24 O2
• Molecular Weight: 236.35
• Hs Code.: 2916190090
• European Community (EC) Number: 805-422-6
• DSSTox Substance ID: DTXSID90865125
• Nikkaji Number: J2.260.629H
• Mol file: 23960-07-8.mol

Synonyms:23960-07-8;(+/-)-LAVANDULYL SENECIOATE;5-METHYL-2-(PROP-1-EN-2-YL)HEX-4-EN-1-YL 3-METHYLBUT-2-ENOATE;(5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbut-2-enoate;SCHEMBL336388;DTXSID90865125;2-Butenoic acid, 3-methyl-, 5-methyl-2-(1-methylethenyl)-4-hexenyl ester;AKOS028114089;2-isopropenyl-5-methyl-4-hexen-1-yl 3-methyl-2-butenoate;2-Butenoic acid, 3-methyl-, 5-methyl-2-(1-methylethenyl)-4-hexen-1-yl ester

Chemical Property of 5-Methyl-2-(prop-1-EN-2-YL)hex-4-EN-1-YL 3-methylbut-2-enoate

Chemical Property:

• Boiling Point: 85 °C(Press: 0.1 Torr)
• PSA: 26.30000
• Density: 0.903±0.06 g/cm3(Predicted)
• LogP: 4.04440
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 236.177630004
• Heavy Atom Count: 17
• Complexity: 327

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC(COC(=O)C=C(C)C)C(=C)C)C
• Use Description: (+/-)-Lavandulyl Senecioate is a chemical compound that has various applications in different fields. In the field of perfumery and cosmetics, it is used as a fragrance ingredient, imparting a pleasant lavender-like scent to perfumes, lotions, and other personal care products, enhancing their overall appeal to consumers. In the pharmaceutical industry, it may have potential applications as a precursor or starting material for the synthesis of compounds with medicinal properties, although specific uses may require further research. Additionally, in the realm of organic chemistry, it can serve as a valuable reagent for the synthesis of complex organic molecules, contributing to the development of new materials and compounds for various applications. Its versatility makes (+/-)-Lavandulyl Senecioate a valuable component in perfumery, a potential candidate in pharmaceutical research, and a useful tool in synthetic chemistry, playing diverse roles in these fields.

Technology Process of 5-Methyl-2-(prop-1-EN-2-YL)hex-4-EN-1-YL 3-methylbut-2-enoate

There total 11 articles about 5-Methyl-2-(prop-1-EN-2-YL)hex-4-EN-1-YL 3-methylbut-2-enoate 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: 94.9%

Methyl 3,3-dimethylacrylate (924-50-5) + (+/-)-lavandulol (58461-27-1,21090-68-6) → lavandulyl senecioate (23960-07-8) + 2-isopropenyl-5-methyl-4-hexen-1-yl 3-methyl-3-butenoate

Guidance literature:

With titanium(IV) isopropylate; In toluene; at 100 ℃; Temperature; Reagent/catalyst;

Reference yield: 89.9%

3-Methylbutenoic acid (541-47-9) → lavandulyl senecioate (23960-07-8)

Guidance literature:

2-isopropenyl-5-methyl-4-hexen-1-yl methanesulfonate; With water; potassium carbonate; tetrabutyl-ammonium chloride; In toluene; at 90 - 95 ℃;

3-Methylbutenoic acid; In toluene; at 90 - 95 ℃; for 9.5h; Product distribution / selectivity;

Reference yield: 89.0%

2-isopropenyl-5-methyl-4-hexen-1-yl methanesulfonate (912841-61-3) → lavandulyl senecioate (23960-07-8)

Guidance literature:

3-Methylbutenoic acid; With water; potassium carbonate; tetrabutyl-ammonium chloride; In toluene; at 90 - 95 ℃; for 0.5h;

2-isopropenyl-5-methyl-4-hexen-1-yl methanesulfonate; In toluene; at 90 - 95 ℃; for 16h; Product distribution / selectivity;

upstream raw materials:

3,3-Dimethylacryloyl chloride

(+/-)-lavandulol

3-Methylbutenoic acid

2-isopropenyl-5-methyl-4-hexen-1-yl methanesulfonate

Refernces

• 1、 -. "METHOD FOR PRODUCING 2-ISOPROPENYL-5-METHYL-4-HEXEN-1-YL 3-METHYL-2-BUTENOATE". Page/Page column 0032-0034; 0048; 0049. . Retrieved 2016/06/28.
• 2、 -. "METHOD FOR PRODUCING 2-ISOPROPENYL-5-METHYL-4-HEXEN-1-YL 3-METHYL-2-BUTENOATE". Page/Page column 8-9. . Retrieved 2008/06/13.