18060-77-0

Basic information

• Product Name: CROTONIC ACID ISOPROPYL ESTER
• Synonyms: (E)-2-Butenoic acid isopropyl ester;CH3CH=CHC(O)OCH(CH3)2;Crotonic acid, isopropyl ester, trans;Isopropyl (2E)-2-butenoate;Isopropyl 2-butenoate;CROTONIC ACID ISOPROPYL ESTER;ISOPROPYL CROTONATE;2-Butenoic acid 1-methylethyl ester
• CAS NO: 18060-77-0
• Molecular Formula: C₇H₁₂O₂
• Molecular Weight: 128.17
• EINECS: 241-970-7
• Mol File: 18060-77-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 143℃
• Flash Point: 40℃
• Appearance: /
• Density: 0.905
• CAS DataBase Reference: CROTONIC ACID ISOPROPYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: CROTONIC ACID ISOPROPYL ESTER(18060-77-0)
• EPA Substance Registry System: CROTONIC ACID ISOPROPYL ESTER(18060-77-0)

Safety Data

• Hazardous Substances Data: 18060-77-0(Hazardous Substances Data)

Usage

General Description

Crotonic acid isopropyl ester, also known as isopropyl crotonate, is a chemical compound used as a fragrance ingredient and solvent. It is a colorless liquid with a fruity odor and is derived from crotonic acid, which is a carboxylic acid. This ester is commonly used in the production of perfumes and other personal care products, as well as in the manufacturing of adhesives, sealants, and coatings. It is also utilized as a flavoring agent in the food industry. Crotonic acid isopropyl ester has low acute toxicity and is generally considered safe for use in various consumer and industrial applications.

Upstream product

• 107-93-7 (E)-but-2-enoic acid 
• 153854-02-5 (R)-3-acetoxybutyric acid methyl ester 
• 67-63-0 isopropyl alcohol 
• 3724-65-0 2-butenoic acid 

Downstream Products

• 127322-74-1 4-bromocrotonic acid isopropyl ester 
• 1343491-74-6 C₂₁H₁₇ClF₃NO₇ 

Relevant articles and documents

The role of neutral donor ligands in the isoselective ring-opening polymerization of: Rac -β-butyrolactone

Isoenriched poly-3-hydroxybutyrate (P3HB) is a biodegradable material with properties similar to isotactic polypropylene, yet efficient routes to this material are lacking after 50+ years of extensive efforts in catalyst design. In this contribution, a novel lanthanum aminobisphenolate catalyst (1-La) can access isoenriched P3HB through the stereospecific ring-opening polymerization (ROP) of rac-β-butyrolactone (rac-BBL). Replacing the tethered donor group of a privileged supporting ligand with a non-coordinating benzyl substituent generates a catalyst whose reactivity and selectivity can be tuned with inexpensive achiral neutral donor ligands (e.g. phosphine oxides, OPR3). The 1-La/OPR3 (R = n-octyl, Ph) systems display high activity and are the most isoselective homogeneous catalysts for the ROP of rac-BBL to date (0 °C: Pm = 0.8, TOF ～190 h-1). Combined reactivity and spectroscopic studies provide insight into the active catalyst structure and ROP mechanism. Both 1-La(TPPO)2 and a structurally related catalyst with a tethered donor group (2-Y) operate under chain-end stereocontrol; however, 2-RE favors formation of P3HB with opposite tacticity (syndioenriched) and its ROP activity and selectivity are totally unaffected by added neutral donor ligands. Our studies uncover new roles for neutral donor ligands in stereospecific ROP, including suppression of chain-scission events, and point to new opportunities for catalyst design. This journal is

ESTERIFICATION AT ROOM TEMPERATURE: A MIXING AFFAIR ONLY

Carboxylic acids in absolute alcohols, on treatment with thionyl chloride at room temperature give good yields of corresponding esters.