Grundinformationen
- Standard-SMILES
COC(=O)CC(C)C(=O)O- InChIKey
UVQYBUYGFBXQGO-UHFFFAOYSA-N- Summenformel
- C6H10O4
- Durchschnittliche Molmasse
- 146,14 g/mol
- Monoisotopische Masse
- 146,0579088
Namen und Bezeichner
- Bevorzugter Name
- 4-Methoxy-2-methyl-4-oxobutanoic acid
- IUPAC
- 4-methoxy-2-methyl-4-oxobutanoic acid
Namen und Synonyme
4-methoxy-2-methyl-4-oxobutanoic acidRefChem:524536816-977-9SCHEMBL1966537SCHEMBL6044695UVQYBUYGFBXQGO-UHFFFAOYSA-NMFCD191598584-methoxy-2-methyl-4-oxobutanoicacidAKOS000279138AKOS022634218SB454704-Methoxy-2-methyl-4-oxo-butyric acid
Weitere Namen anzeigen
3-methoxycarbonyl-2-methylpropanoic acid3-methoxycarbonyl-2-methylpropionic acid4-methoxy-2-methyl-4-oxo-butanoic acidSY1412413-(Methoxycarbonyl)-2-methylpropanoic acidDB-182865EN300-106540G32305
Datenbank-Bezeichner
- CAS
23268-03-3- PubChem CID
- 4563901
- EC Number
- 816-977-9
- Nikkaji
- J1.266.482F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 141
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Zugehörige Reaktionen
21
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