Pivalaldehyd

Pivalaldehyde

HCID 12417CAS 630-19-3
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Grundinformationen

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 Struktureigenschaften

XLogP
1,1
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
6

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as a reagent in synthetic organic chemistry; [Merck Index]
General Manufacturing InformationPropanal, 2,2-dimethyl-: ACTIVE
Anwendungen · 2 Einträge

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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
艾斯提克(山东)生物医药有限公司21-58999881 15623240527 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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