Pivalaldehyd
Pivalaldehyde
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Grundinformationen
- CAS
630-19-3- Standard-SMILES
CC(C)(C)C=O- InChIKey
FJJYHTVHBVXEEQ-UHFFFAOYSA-N- Summenformel
- C5H10O
- Durchschnittliche Molmasse
- 86,13 g/mol
- Monoisotopische Masse
- 86,07316494
Überblick
2,2-dimethylpropanal is a member of the class of propanals that is propanal substituted by two methyl groups at position 2. It is a member of propanals and a 2-methyl-branched fatty aldehyde.
Namen und Bezeichner
- Bevorzugter Name
- Pivalaldehyde
- IUPAC
- 2,2-dimethylpropanal
- Lokaler Name
- Pivalaldehyd
- Englischer Name
- Pivaldehyde
- Summenformel
- C5H10O
- Molmasse
- 86.13
Namen und Synonyme
Trimethylacetaldehyde630-19-3PIVALALDEHYDEPivaldehyde2,2-DimethylpropanalNeopentanal2,2-DimethylpropionaldehydePivalic aldehydeNEOPENTALDEHYDESSC20260QWalpha,alpha-DimethylpropionaldehydeNSC-22043
Weitere Namen anzeigen
PALtert-Pentanal2,2-dimethyl-propanapropanal,2,2-dimethyl-LRIT1LRRC21
DTXSID2060888CHEBI:141557RefChem:174620DTXCID3043609211-134-6Propanal, 2,2-dimethyl-MFCD00006962tert-Valeraldehyde
Datenbank-Bezeichner
- CAS
630-19-3- PubChem CID
- 12417
- DTXSID
DTXSID2060888- ChEBI
CHEBI:141557- UNII
- SSC20260QW
- EC Number
- 211-134-6
- Nikkaji
- J102.084F
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 49,4
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aldehydes
SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure71.2 [mmHg]
Physical DescriptionColorless liquid; [Merck Index] mp = 6 deg C; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 6 °C · 6 °C(lit.)
- Siedepunkt
- 74 °C730 · 74 °C730 mm Hg(lit.)
- Dichte
- 0.793 g/mL · 0.793 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.378(lit.)
- Flammpunkt
- 4 °F · 4 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
- Aggregatzustand
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 25-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31679
Hazards SummaryAn irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Sicherheitsdaten
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1989 3/PG 2
- hs_code
- 29121900
- risk_code
- 11-37/38-43
- hazard_code
- F,Xi,F+
- safety_code
- 16-23-33-24
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as a reagent in synthetic organic chemistry; [Merck Index]
General Manufacturing InformationPropanal, 2,2-dimethyl-: ACTIVE
Anwendungen
BeschreibungTrimethylacetaldehyde (also known as Pivaldehyde) is the trimethyl form of acetaldehyde. It is an aldehyde with a sterically bulky R group, the tertiary-butyl group being attached to the carbonyl, >C=O. It is a useful reagent in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. It is useful in streoselective synthesis application as well as in aldol condensation reactions. As a derivative of acetaldehyde, trimethyl acetaldehyde can be used for the production of acetate. It can also be used as the precursor for manufacturing of pyridine derivatives, pentaerythritol, and crotonaldehyde.
VerwendenCommonly used building block in aldol condensation reactions.
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