Ethyl 3,3-dimethylacrylate - CAS 638-10-8

Catalog:	BB032287
Product Name:	Ethyl 3,3-dimethylacrylate
CAS:	638-10-8
Synonyms:	ethyl 3-methylbut-2-enoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-methylbut-2-enoate
Description:	Used in the preparation of pyrazole compounds as Raf inhibitors.
Molecular Weight:	128.17
Molecular Formula:	C7H12O2
Canonical SMILES:	CCOC(=O)C=C(C)C
InChI:	InChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3
InChI Key:	UTXVCHVLDOLVPC-UHFFFAOYSA-N
Boiling Point:	154-155 °C
Purity:	95 %
Density:	0.922 g/cm³
Appearance:	Colorless liquid
Storage:	Keep tightly closed. Keep away from heat, sparks, and open flame. Store in a cool dry place.
MDL:	MFCD00009187
LogP:	1.51570

Publication Number	Title	Priority Date
JP-6945096-B1	Adsorbent replacement method and fuel cell system	20210416
CN-113061212-A	Unsaturated polyester resin composition and composite material prepared from same	20210306
CN-113429410-A	Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof	20200323
CN-111217749-A	Deuterated pentazocine, preparation method, medical composition and application	20200313
JP-2021059696-A	Polyester resin composition	20191009

PMID	Publication Date	Title	Journal
21799756	20110101	Earthworms use odor cues to locate and feed on microorganisms in soil	PloS one
20143847	20100315	Synthesis of aryl-substituted bis(imino)pyridine iron dinitrogen complexes	Inorganic chemistry
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
12084727	20020906	A novel biosynthetic pathway providing precursors for fatty acid biosynthesis and secondary metabolite formation in myxobacteria	The Journal of biological chemistry

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[5650-34-0]
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[1427004-19-0]
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[1006443-01-1]
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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

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.083729621
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9