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About This Item
Linear Formula:
H2C=C(CH3)CH2CH2CO2C2H5
CAS Number:
Molecular Weight:
142.20
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
95%
form
liquid
refractive index
n20/D 1.425 (lit.)
bp
85 °C/20 mmHg (lit.)
density
0.891 g/mL at 25 °C (lit.)
SMILES string
CCOC(=O)CCC(C)=C
InChI
1S/C8H14O2/c1-4-10-8(9)6-5-7(2)3/h2,4-6H2,1,3H3
InChI key
RRTBSPBUHUUTHR-UHFFFAOYSA-N
General description
Ethyl 4-methyl-4-pentenoate is an olefin ester. It undergoes iron carbonyl-promoted isomerization to α,β-unsaturated esters. Reaction of ethyl 4-methyl-4-pentenoate with CH3OBOCH3+ was examined in a small Fourier-transform ion cyclotron resonance mass spectrometer equipped with a permanent magnet.
Signal Word
Warning
Hazard Statements
Hazard Classifications
Flam. Liq. 3
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
136.4 °F - closed cup
Flash Point(C)
58 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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K K Thoen et al.
Journal of the American Society for Mass Spectrometry, 7(11), 1138-1143 (1996-11-01)
The usefulness of CH3OBOCH 3 (+) as a chemical ionization reagent was examined by allowing the ion to react with carboxylic esters of various chain lengths in a small Fourier-transform ion cyclotron resonance mass spectrometer equipped with a permanent magnet.
Kuo-Chen Shih et al.
The Journal of organic chemistry, 61(22), 7784-7792 (1996-11-01)
Ultraviolet photolysis of stoichiometric amounts of methyl oleate and Fe(CO)(5) in hexanes solvent at 0 degrees C gives Fe(CO)(3)(eta(4)-alpha,beta-ester) in which the alpha,beta-unsaturated ester isomer of methyl oleate is stabilized by eta(4)-oxadiene pi coordination of the olefin and ester carbonyl
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