49661

Methyl 4-pentenoate

≥95.0% (GC)

Manufacturer: Sigma Aldrich

CAS Number: 818-57-5

Synonym(S): 4-Pentenoic acid methyl ester, Allylacetic acid methyl ester, Methyl allylacetate

Select a Size

Pack Size SKU Availability Price
1 G 49661-1-G In Stock ₹ 8,789.90
5 G 49661-5-G In Stock ₹ 35,137.95

49661 - 1 G

₹ 8,789.90

In Stock

Quantity

1

Base Price: ₹ 8,789.90

GST (18%): ₹ 1,582.182

Total Price: ₹ 10,372.082

Quality Level

100

Assay

≥95.0% (GC)

refractive index

n20/D 1.415n20/D 1.415

SMILES string

COC(=O)CCC=C

InChI

1S/C6H10O2/c1-3-4-5-6(7)8-2/h3H,1,4-5H2,2H3

InChI key

SHCSFZHSNSGTOP-UHFFFAOYSA-N

Description

  • General description: Methyl 4-pentenoate is an unsaturated methyl ester that is prepared by the esterification of 1-pentenoic acid with methanol.[1] It undergoes amidation with formamide via acetone-initiated photochemical reaction to form a 1:1 adduct.[2] The metathesis of methyl 4-pentenoate with different Mo(VI)alkylidene complexes have been reported.[1] It acts as a chain transfer agent during the polymerization of exo,exo-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene using RuII(H20)6(tos)2 (tos =p-toluenesulfonate) as a catalyst.[3]

SAFETY INFORMATION

Pictograms

GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H319

Precautionary Statements

P210 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3

WGK

WGK 3

Flash Point(F)

84.2 °F

Flash Point(C)

29 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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≥95.0% (GC)

refractive index:
n20/D 1.415n20/D 1.415

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COC(=O)CCC=C

InChI:
1S/C6H10O2/c1-3-4-5-6(7)8-2/h3H,1,4-5H2,2H3

InChI key:
SHCSFZHSNSGTOP-UHFFFAOYSA-N

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Assay:
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refractive index:
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SMILES string:
O.[Na+].[Na+].[Na+].[O-]P([O-])(=O)O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)O[W]([O-])(=O)=O

InChI:
1S/3Na.H3O4P.H2O.36O.12W/c;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;(H3,1,2,3,4);1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;-1;;;;;;;;;;;;+1/p-3

InChI key:
ZJNHDCZHHPMFAZ-UHFFFAOYSA-K

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n20/D 1.506 (lit.)

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C=CC(OC[C@@H]1[C@H](C2)[C@@H](CCC3COC(C=C)=O)[C@@H]3[C@H]2C1)=O

InChI:
1S/C18H24O4/c1-3-16(19)21-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-22-17(20)4-2/h3-4,11-15,18H,1-2,5-10H2

InChI key:
VEBCLRKUSAGCDF-UHFFFAOYSA-N

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refractive index:
n20/D 1.47 (lit.)

SMILES string:
CC(=C)C(=O)OCCOP(O)(=O)OCCOC(=O)C(C)=C

InChI:
1S/C12H19O8P/c1-9(2)11(13)17-5-7-19-21(15,16)20-8-6-18-12(14)10(3)4/h1,3,5-8H2,2,4H3,(H,15,16)

InChI key:
NXBXJOWBDCQIHF-UHFFFAOYSA-N