Butandial

Butanedial

HCID 12524CAS 638-37-9

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Grundinformationen

Standard-SMILES: O=CCCC=O
InChIKey: PCSMJKASWLYICJ-UHFFFAOYSA-N
Summenformel: C4H6O2
Durchschnittliche Molmasse: 86,09 g/mol
Monoisotopische Masse: 86,03677943

Namen und Bezeichner

Bevorzugter Name: Butanedial
IUPAC: butanedial
Lokaler Name: Butandial
Englischer Name: Succinaldehyde
Summenformel: C4H6O2
Molmasse: 86.09

Namen und Synonyme

SUCCINALDEHYDEButanedial638-37-9SuccindialdehydeSuccinic aldehydeSuccinic dialdehyde1,4-butane dialdehydeNSC-11057DTXSID3021514RefChem:186326DTXCID001514211-333-8

Weitere Namen anzeigen

SDABUTANDIALbutyldialdehydeAtropine Impurity 16

05031775911,4-Butanedione1,4-ButanedialNDGA derivativeNSC 11057.beta.-Formylpropionaldehydebeta-Formylpropionaldehydediacetal

Datenbank-Bezeichner

CAS: 638-37-9
PubChem CID: 12524
DTXSID: DTXSID3021514
ChEBI: CHEBI:80762
UNII: 0503177591
EC Number: 211-333-8
Nikkaji: J6.923J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,9
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 6
Formalladung: 0
Komplexität: 41

Physikochemische Eigenschaften

Siedepunkt: 98.74 °C · 98.74°C (rough estimate)
Dichte: 1.065 · 1.0650
Brechungsindex: 1.4262 · 1.4262
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: v sol water, alcohol, ether.
Aggregatzustand: oil
InChI: InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2
InChIKey: PCSMJKASWLYICJ-UHFFFAOYSA-N
SMILES: C(=O)CCC=O
LogP: -0.22 · -0.220 (est)
CAS Datenbank: 638 · 638-37-9(CAS DataBase Reference)
EPA chemische Informationen: Butanedial (638-37-9)

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Butanedial

Butanedial: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Butanedial

Butanedial: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Sicherheitsdaten

tsca: TSCA listed
risk_code: 40
hazard_code: Xn
safety_code: 36/37

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationButanedial: INACTIVE

Anwendungen · 1 Eintrag

VerwendenSuccinaldehyde (SA) was added directly into UF resins before application for plywood production; these urea-formaldehyde-succinaldehyde (UFSA) resins, as they were formed during curing, improved markedly the water resistance of the hardened UF bondline as well as decreased its formaldehyde emission.

Darstellung · 1 Eintrag

synthetischePreparation method of succinaldehyde: Using furan as the raw material, 2,5-Dihydro-2,5-dimethoxyfuran is prepared by electrolysis, followed by hydrogenation and hydrolysis to obtain succinaldehyde. Alternatively, Cyclododeca-1,5,9-triene can be used as the raw material. In ethyl acetate, at -20 to 10°C, it is oxidized with 3% ozone to produce triene ozonide. It is then subjected to catalytic hydrogenation with 5% lead-activated carbon at room temperature to prepare succinaldehyde.