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Monoethyl itaconate

CAT: 0804-HY-W076778-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W076778-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Monoethyl itaconate is a free radical can be used for polymerization[1].
CAS Number
57718-07-7
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/monoethyl-itaconate.html
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C=C(CC(OCC)=O)C(O)=O
Molecular Formula
C7H10O4
Molecular Weight
158.15
Precautions
H302, H315, H319, H335
References & Citations
[1]César Teijón, et al. Swelling properties of copolymeric hydrogels of poly (ethylene glycol) monomethacrylate and monoesters of itaconic acid for use in drug delivery. J Biomed Mater Res B Appl Biomater. 2009 Nov;91 (2) :716-26.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

beta-Monoethyl itaconate
CAS Number57718-07-7
PubChem CID533740
IUPAC Name4-ethoxy-2-methylidene-4-oxobutanoic acid
Molecular FormulaC7H10O4
Molecular Weight158.15
XLogP0.5
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity183
SMILES
CCOC(=O)CC(=C)C(=O)O
InChI
InChI=1S/C7H10O4/c1-3-11-6(8)4-5(2)7(9)10/h2-4H2,1H3,(H,9,10)
InChIKey
RTTAGBVNSDJDTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of beta-Monoethyl itaconate
CAS: 57718-07-7
CID: 533740
Formula: C7H10O4
MW: 158.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.15
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass158.05790880
Monoisotopic Mass158.05790880
Topological Polar Surface Area63.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19216373-01Monoethyl itaconate
HAA33827Monomethyl Itaconate
MBS3616911-01Itaconate-alkyne
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sc-358369Monoperfluorooctyl itaconate
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