Methyl 3-methyl-2-butenoate - CAS 924-50-5
Catalog: |
BB040516 |
Product Name: |
Methyl 3-methyl-2-butenoate |
CAS: |
924-50-5 |
Synonyms: |
methyl 3-methylbut-2-enoate |
IUPAC Name: | methyl 3-methylbut-2-enoate |
Description: | Methyl 3-methyl-2-butenoate (CAS# 924-50-5) is an impurity in the synthesis of Ciclopirox-d11 Sodium Salt. |
Molecular Weight: | 114.14 |
Molecular Formula: | C6H10O2 |
Canonical SMILES: | CC(=CC(=O)OC)C |
InChI: | InChI=1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3 |
InChI Key: | FZIBCCGGICGWBP-UHFFFAOYSA-N |
Boiling Point: | 70-75 °C (60 mmHg) |
Melting Point: | -41 °C |
Purity: | 99 % |
Density: | 0.873 g/cm3 |
Appearance: | Colorless liquid |
Storage: | Keep tightly closed. Keep away from heat, sparks, and open flame. Store in a cool dry place. |
MDL: | MFCD00043940 |
LogP: | 1.12560 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22243393 | 20120207 | GC/MS method for positive detection of Bacillus anthracis endospores | Analytical chemistry |
19633879 | 20100301 | Gas phase reactions of unsaturated esters with Cl atoms | Environmental science and pollution research international |
15712355 | 20050401 | Gas-phase reactivity of the O=P(OCH3)2 + phosphonium ion towards alpha,beta-unsaturated esters in a quadrupole ion trap | Journal of mass spectrometry : JMS |
15740052 | 20050309 | Identification of potent odorants in different cultivars of snake fruit [Salacca zalacca (Gaert.) Voss] using gas chromatography-olfactometry | Journal of agricultural and food chemistry |
19787881 | 20050221 | An experimental study of the gas-phase reaction of the NO3 radical with alpha,beta-unsaturated carbonyl compounds | Physical chemistry chemical physics : PCCP |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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