Record Information
Version1.0
Creation Date2016-05-19 02:27:42 UTC
Update Date2016-11-09 01:13:37 UTC
Accession NumberCHEM007581
Identification
Common NameSUCCINIC ANHYDRIDE
ClassSmall Molecule
Description
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • IARC Carcinogens Group 3
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
2,5-DiketotetrahydrofuranChEBI
2,5-DioxotetrahydrofuranChEBI
BernsteinsaeureanhydridChEBI
Butanedioic anhydrideChEBI
Dihydro-2,5-furandioneChEBI
Dihydrofuran-2,5-dioneChEBI
Succinic acid anhydrideChEBI
Succinyl anhydrideChEBI
Succinyl oxideChEBI
Tetrahydro-2,5-dioxofuranChEBI
Tetrahydro-2,5-furandioneChEBI
Succinate anhydrideGenerator
2,5(3H,4H)-FurandioneHMDB
2,5-Furandione, dihydro-, mono-C11-13-alkenyl derivs.HMDB
2-Alkenyl (C11-C13) succinic acid anhydrideHMDB
Butanedioic acid,anhydride succinic anhydrideHMDB
Dihydro-2, 5-furandioneHMDB
Dihydro-2,5-diketotetrahydrofuranHMDB
Dihydro-furan-2,5-dioneHMDB
Oxolane-2,5-dioneHMDB
Rikacid saHMDB
SAAHMDB
Succinic anhydride treated bovine serum albuminHMDB
Succinic anhydride treated bsaHMDB
Succinyl peroxideHMDB
SuccinyloxideHMDB
Tetrahydro-2, 5-dioxofuranHMDB
Chemical FormulaC4H4O3
Average Molecular Mass100.073 g/mol
Monoisotopic Mass100.016 g/mol
CAS Registry Number108-30-5
IUPAC Nameoxolane-2,5-dione
Traditional Namesuccinic anhydride
SMILESO=C1CCC(=O)O1
InChI IdentifierInChI=1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-2H2
InChI KeyRINCXYDBBGOEEQ-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassDicarboxylic acids and derivatives
Direct ParentDicarboxylic acids and derivatives
Alternative Parents
Substituents
  • Dicarboxylic acid or derivatives
  • Tetrahydrofuran
  • Carboxylic acid anhydride
  • Lactone
  • Oxacycle
  • Organoheterocyclic compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility348 g/LALOGPS
logP-0.25ALOGPS
logP-0.26ChemAxon
logS0.54ALOGPS
pKa (Strongest Basic)-7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area43.37 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity20.33 m³·mol⁻¹ChemAxon
Polarizability8.34 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0kdi-9200000000-7aa5270b2ac5ed677ac4Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-2900000000-b6c9d054dced9b9c7d79Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-4900000000-f15e0d8dde55d48b1642Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9000000000-751ce6ded2976303a3eaSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-fce94dd02c8af5927d04Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-052b-9000000000-64e15626f36dab29d672Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0pb9-9000000000-d647422e00ac0f19d689Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-bd4c8170b9ee3c19f59aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-052b-9000000000-c55763477e5bb8a6b707Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0pb9-9000000000-a693fcab8c2aa97ff11cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0zfr-9700000000-4d81f50d0ea48e8c13ddSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4l-9100000000-23d4f9891f64c49c5789Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4l-9000000000-58e61e6d42bb2d9c8fe8Spectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0032523
FooDB IDFDB010338
Phenol Explorer IDNot Available
KNApSAcK IDC00034296
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSuccinic anhydride
Chemspider ID7634
ChEBI ID36595
PubChem Compound ID7922
Kegg Compound IDC19524
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Maeda H: Preparation of succinyl neocarzinostatin. Antimicrob Agents Chemother. 1974 Mar;5(3):354-5.
2. EAFUS: Everything Added to Food in the United States.