Methyl crotonate, 96%, trans-isomer

Description

CAS: 623-43-8 | C5H8O2 | 100.12 g/mol

Methyl crotonate was used to investigate chemo selectivity in the reaction between methyl crotonate and benzyl amine catalyzed by lipase B from Candida Antarctica using solvent engineering. It was used as starting reagent during the total synthesis of phytotoxins solanapyrones D(1) and E(2).

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Methyl crotonate was used to investigate chemo selectivity in the reaction between methyl crotonate and benzyl amine catalyzed by lipase B from Candida Antarctica using solvent engineering. It was used as starting reagent during the total synthesis of phytotoxins solanapyrones D(1) and E(2).

Solubility
Insoluble in water.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 623-43-8
• Molecular Formula: C5H8O2
• Molecular Weight (g/mol): 100.12
• MDL Number: MFCD00009287
• InChI Key: MCVVUJPXSBQTRZ-ONEGZZNKSA-N
• Synonym: methyl crotonate, e-methyl but-2-enoate, trans-methyl crotonate, methyl e-crotonate, methyl 2-butenoate, methyl trans-crotonate, 2-butenoic acid, methyl ester, 2e, trans-2-butenoic acid methyl ester, methyl trans-2-butenoate, e-crotonic acid methyl ester
• PubChem CID: 638132
• IUPAC Name: methyl (E)-but-2-enoate
• SMILES: COC(=O)\C=C\C

• Density: 0.946
• Boiling Point: 118°C to 120°C
• Flash Point: 4°C (40°F)
• Refractive Index: 1.4255
• Quantity: 500 g
• UN Number: UN3272
• Beilstein: 1720292
• Merck Index: 14,2597
• Solubility Information: Insoluble in water.
• Formula Weight: 100.12
• Percent Purity: 98%
• Chemical Name or Material: Methyl crotonate

Safety and Handling

Hazard Category	H225-H319
Hazard Statement	GHS H Statement H225-H315-H319-H335 Highly flammable liquid and vapour. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P210-P233-P240-P241-P242-P243-P264b-P280-P303+P361+P353-P305+P351+P338-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: II; Proper Shipping Name: ESTERS, N.O.S.
EINECSNumber	210-793-7
RTECSNumber	GQ5710000
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only