Basic information
- CAS
925-05-3- Standard SMILES
CC(C)COC(=O)C=CC(=O)O- InChIKey
UKXDHEBARGMWMO-UHFFFAOYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Overview
See also: Monoisobutyl maleate (annotation moved to).
Names & identifiers
- Preferred name
- 4-(2-Methylpropoxy)-4-oxobut-2-enoic acid
- IUPAC
- 4-(2-methylpropoxy)-4-oxobut-2-enoic acid
- English name
- isobutyl hydrogen maleate
- Molecular formula
- C8H14O5
- Molecular weight
- 190.19376
Names & synonyms
925-05-3SCHEMBL809870Einecs 213-112-1isobutyl hydrogen maleateMaleic acid 1-isobutyl esterMaleic acid, monoisobutyl ester(Z)-2-Butenedioic acid 1-isobutyl ester2-Butenedioic acid (2Z)-, 1-(2-methylpropyl) ester2-Butenedioic acid (2Z)-, mono(2-methylpropyl) ester
Database identifiers
- CAS
925-05-3- PubChem CID
- 84993
- EC Number
- 213-112-1
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Indirect Additives used in Food Contact Substances
- ISOBUTYL MALEATE
- FDA 21 CFR
- 176.17 · 176.170
- FDA UNII
- 7836164 · KDC7836164
- EPA Substance Registry System
- 2 · 2-Butenedioic acid (2Z)-, mono(2-methylpropyl) ester (925-05-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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