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368571

Sigma-Aldrich

Methyl 3-methyl-2-butenoate

97%

Synonym(s):

Methyl 3,3-dimethylacrylate

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About This Item

Linear Formula:
(CH3)2C=CHCOOCH3
CAS Number:
924-50-5
Molecular Weight:
114.14
Beilstein/REAXYS Number:
1741592
EC Number:
213-107-4
MDL number:
MFCD00043940
UNSPSC Code:
12352100
PubChem Substance ID:
24862919
NACRES:
NA.22

Quality Level

100

assay

97%

form

liquid

refractive index

n20/D 1.4364 (lit.)

bp

70-75 °C/60 mmHg (lit.)

density

0.873 g/mL at 25 °C

functional group

ester

SMILES string

COC(=O)\C=C(\C)C

InChI

1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3

InChI key

FZIBCCGGICGWBP-UHFFFAOYSA-N

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General description

Methyl 3-methyl-2-butenoate is an α,β-unsaturated ester. It is reported as overripe fruity, ethereal odorant, responsible for the aroma of snake fruit. Rate coefficients for the reaction between the NO3 radical and methyl 3-methyl-2-butenoate has been evaluated.

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

98.6 °F - closed cup

flash_point_c

37 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCD9209
MKCB0594V
MKBW6830V
MKBL7179V
MKBC3919

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Carlos E Canosa-Mas et al.
Physical chemistry chemical physics : PCCP, 7(4), 643-650 (2005-02-21)
The relative-rate technique has been used to obtain rate coefficients for the reaction between the NO3 radical and alpha,beta-unsaturated esters and ketones: methyl E-2-butenoate (k1), methyl 3-methyl-2-butenoate (k2), methyl E-2-methyl-2-butenoate (k3), 3-methyl-3-buten-2-one (k4), E-3-penten-2-one (ks), 4-methyl-3-penten-2-one (k6), and E-3-methyl-3-penten-2-one (k7).
C H Wijaya et al.
Journal of agricultural and food chemistry, 53(5), 1637-1641 (2005-03-03)
Three cultivars of snake fruits, Pondoh Hitam, Pondoh Super, and Gading, were freshly extracted using liquid-liquid extraction. The aroma compounds of the three samples were analyzed by GC-MS and GC-olfactometry using the nasal impact frequency (NIF) method. A total of

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