Grundinformationen
- Standard-SMILES
COC(=O)CC(C)(C)C1CC1- InChIKey
VLAPDKFWDLHLKN-UHFFFAOYSA-N- Summenformel
- C9H16O2
- Durchschnittliche Molmasse
- 156,22 g/mol
- Monoisotopische Masse
- 156,11502975
Namen und Bezeichner
- Bevorzugter Name
- Methyl 3-cyclopropyl-3-methylbutanoate
- IUPAC
- methyl 3-cyclopropyl-3-methylbutanoate
Namen und Synonyme
methyl 3-cyclopropyl-3-methylbutanoate486394-55-2RefChem:815425966-768-2methyl3-cyclopropyl-3-methylbutanoateSCHEMBL7112401VLAPDKFWDLHLKN-UHFFFAOYSA-NEN300-210817
Datenbank-Bezeichner
- CAS
486394-55-2- PubChem CID
- 18625543
- EC Number
- 966-768-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 157
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning 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.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Zugehörige Reaktionen
4
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