Grundinformationen
- Standard-SMILES
CC=CC(=O)O- InChIKey
LDHQCZJRKDOVOX-UHFFFAOYSA-N- Summenformel
- C4H6O2
- Durchschnittliche Molmasse
- 86,09 g/mol
- Monoisotopische Masse
- 86,03677943
Überblick
2-butenoic acid has been reported in Daucus carota with data available.
Namen und Bezeichner
- Bevorzugter Name
- 2-Butenoic acid
- IUPAC
- but-2-enoic acid
Namen und Synonyme
2-Butenoic acidDTXSID7027544DTXCID507544CHEBI:17217RefChem:1062626but-2-enoic acid503-64-0.alpha.-Crotonic acidCH3CH=CHCOOHFA 4:1UN 2823alpha-butenic acid
Weitere Namen anzeigen
Crotonic acid (NIST)SCHEMBL22034SCHEMBL23398SCHEMBL294338SCHEMBL1007083SCHEMBL7670830SCHEMBL7670833SCHEMBL7677233
Datenbank-Bezeichner
- CAS
107-93-7、3724-65-0- PubChem CID
- 19499
- DTXSID
DTXSID7027544- ChEMBL
CHEMBL3185203
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 73,6
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
CosmeticsStabilizing
SpringerMaterials PropertiesDensity
Solubility
Slightly soluble in water
Soluble (in ethanol)
Physical Description
Dry Powder
Off-white powder; Harsh, pungent, acrylic odour
Sicherheit und Regulatorisches
Gefahrenhinweise
Regulatory Information
Chemical: 2-Butenoic acid
2-Butenoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butenoic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Crotonic acid: Does not have an individual approval but may be used under an appropriate group standard
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 224,869 lb
Consumer UsesDye
Industry UsesMonomers
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Stabilizing
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2-Butenoic acid: ACTIVE
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