2,2,3-Trimethylbutanal

HCID 13183276CAS 86290-37-1

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Grundinformationen

Standard-SMILES: CC(C)C(C)(C)C=O
InChIKey: PRFUJBMOTAXNJV-UHFFFAOYSA-N
Summenformel: C7H14O
Durchschnittliche Molmasse: 114,19 g/mol
Monoisotopische Masse: 114,10446507

Namen und Bezeichner

Bevorzugter Name: 2,2,3-Trimethylbutanal
IUPAC: 2,2,3-trimethylbutanal

Namen und Synonyme

2,2,3-trimethylbutanal86290-37-1DTXSID40525484RefChem:242794DTXCID80476289969-348-7Butanal, 2,2,3-trimethyl-2,2,3-trimethyl-butanalSCHEMBL270228SCHEMBL2702292,2,3-trimethyl-butyraldehydeEN300-1619328

Datenbank-Bezeichner

CAS: 86290-37-1
PubChem CID: 13183276
DTXSID: DTXSID40525484
EC Number: 969-348-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 82

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.