368571
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:
Molecular Weight:
114.14
Beilstein:
1741592
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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
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.
Signal Word
Warning
Hazard Statements
Hazard Classifications
Flam. Liq. 3
Storage Class Code
3 - Flammable liquids
WGK
WGK 1
Flash Point(F)
98.6 °F - closed cup
Flash Point(C)
37 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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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