Grundinformationen
- CAS
32749-94-3- Standard-SMILES
CCC(C)C(C)C=O- InChIKey
BOHKXQAJUVXBDQ-UHFFFAOYSA-N- Summenformel
- C7H14O
- Durchschnittliche Molmasse
- 114,19 g/mol
- Monoisotopische Masse
- 114,10446507
Namen und Bezeichner
- Bevorzugter Name
- 2,3-Dimethylpentanal
- IUPAC
- 2,3-dimethylpentanal
- Lokaler Name
- 2,3-Dimethylvaleraldehyd
- Englischer Name
- 2,3-DIMETHYLPENTANAL
- Summenformel
- C7H14O
- Molmasse
- 114.19
Namen und Synonyme
2,3-Dimethylpentanal2,3-Dimethylvaleraldehyde2,3-DimethylpentaldehydeDTXSID1022213RefChem:442544DTXCID102213251-193-532749-94-3Pentanal, 2,3-dimethyl-Valeraldehyde, 2,3-dimethyl-2,3-Dimethyl-pentanalCHEMBL18278
Weitere Namen anzeigen
Butanal, 3-ethyl-2-methyl2,3-dimethyl-valeraldehyd
EINECS 251-193-5NSC 73707BRN 1901854AI3-33228NSC737073944-76-1Pentanal,3-dimethyl-Valeraldehyde,3-dimethyl-
Datenbank-Bezeichner
- CAS
32749-94-3- PubChem CID
- 61917
- DTXSID
DTXSID1022213- ChEMBL
CHEMBL18278- EC Number
- 251-193-5
- Nikkaji
- J54.450G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 68,8
Experimentelle und physikochemische Eigenschaften
Chemical ClassesFlammable agents - 3rd degree
Physikochemische Eigenschaften
- Schmelzpunkt
- -43.35 °C · -43.35°C (estimate)
- Siedepunkt
- 143.73 °C · 143.73°C (estimate)
- Dichte
- 0.8225 · 0.8225 (estimate)
- Brechungsindex
- 1.4108 · 1.4108 (estimate)
- Geruch (Odor)
- 1 % · at 1.00 % in dipropylene glycol. green ethereal
- Geruchsart
- green
- LogP
- 2.13 · 2.130 (est)
- CAS Datenbank
- 32749 · 32749-94-3
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P272, P280, P302+P352, P303+P361+P353, P321, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable agents - 3rd degree
Sicherheitsdaten
- ridadr
- 1989
- risk_code
- 10
- safety_code
- 16
- hazard_class
- 3.2
- packing_group
- III
Chemie und Industrie
Anwendungen
Verwenden2,3-Dimethylpentanal is present as a volatile flavor compound in fermented sausages and Anas platyrhynchos pressed salted duck. It is an intermediate in the synthesis of Mebutizide (M202550) which is a thiazide diuretic.
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