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

https://huagongshe.com/de/chemical/94834

Identifikatoren & physikalische Daten

CAS No.	595-30-2
Summenformel	C10H14O3
Durchschnittliche Molmasse	182,22 g/mol
Monoisotopische Masse	182,09429431 g/mol
SMILES	CC12CCC(C(=O)OC1=O)C2(C)C
InChIKey	VFZDNKRDYPTSTP-UHFFFAOYSA-N
PubChem CID	94834
ChEMBL	CHEMBL1978242
EC No.	200-952-9
DTXSID	DTXSID90871781

Chemische & physikalische Eigenschaften

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

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (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.
Hazard Classes and Categories	Acute Tox. 4 (100%)

GHS-Einstufung

WarningH302 (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.

Hazard Classes and Categories

Acute Tox. 4 (100%)