1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione

HCID 94834CAS 595-30-2

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Grundinformationen

Standard-SMILES: CC12CCC(C(=O)OC1=O)C2(C)C
InChIKey: VFZDNKRDYPTSTP-UHFFFAOYSA-N
Summenformel: C10H14O3
Durchschnittliche Molmasse: 182,22 g/mol
Monoisotopische Masse: 182,09429431

Namen und Bezeichner

Bevorzugter Name: 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione
IUPAC: 1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione

Namen und Synonyme

1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione76-32-4DTXSID908717811,8,8-Trimethyl-3-oxabicyclo(3.2.1)octane-2,4-dioneRefChem:196860DTXCID90819406d-Camphoric anhydride(+/-)-Camphoric acid anhydride3-Oxabicyclo[3.2.1]octane-2,4-dione, 1,8,8-trimethyl-NSC4559NSC60293NSC657821

Weitere Namen anzeigen

(1R)-Camphoric anhydride(+/-)-camphoric anhydrideNSC-4559(1S)-1,8,8-TRIMETHYL-3-OXABICYCLO[3.2.1]OCTANE-2,4-DIONENSC-60293NSC-657821(-) camphoric anhydride1, 1,2,2-trimethyl-

Datenbank-Bezeichner

CAS: 595-30-2、595-31-3、76-32-4
PubChem CID: 94834
DTXSID: DTXSID90871781
ChEMBL: CHEMBL1978242
EC Number: 200-952-9、209-862-4
Nikkaji: J4.173D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 293

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]