(3aR,6aR)-2,2-dimethyl-hexahydrocyclopenta(d)(1,3)dioxol-4-one

HCID 11171111

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 595581-64-9
Standard-SMILES: CC1(C)O[C@@H]2CCC(=O)[C@@H]2O1
InChIKey: NVWKQINXZFLZPL-RQJHMYQMSA-N
Summenformel: C8H12O3
Durchschnittliche Molmasse: 156,18 g/mol

Namen und Bezeichner

Bevorzugter Name: (3aR,6aR)-2,2-dimethyl-hexahydrocyclopenta(d)(1,3)dioxol-4-one
IUPAC: (3aR,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
Englischer Name: (-)-(3aR,6aR)-Tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-one
Summenformel: C8H12O3
Molmasse: 156.18

Namen und Synonyme

595581-64-9(3aR,6aR)-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one(3aR,6aR)-2,2-dimethyl-hexahydrocyclopenta(d)(1,3)dioxol-4-oneRefChem:400580840-127-6(-)-(3AR,6AR)-TETRAHYDRO-2,2-DIMETHYL-4H-CYCLOPENTA-1,3-DIOXOL-4-ONE148743-86-6(3aR,6aR)-2,2-dimethyldihydro-3aH-cyclopenta[d][1,3]dioxol-4(5H)-oneMFCD08166677(3aR,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one(3aR,6aR)-Tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-oneSCHEMBL1973055

Weitere Namen anzeigen

(3aR,6aR)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-one4H-Cyclopenta-1,3-dioxol-4-one, tetrahydro-2,2-dimethyl-, (3aR,6aR)-

NVWKQINXZFLZPL-RQJHMYQMSA-NAKOS027328081(3aR,6aR)-2,2-dimethyldihydro-3aH-AS-50548SY099950CS-0053382P10558P20453

Datenbank-Bezeichner

CAS: 595581-64-9
PubChem CID: 11171111
EC Number: 840-127-6
Nikkaji: J605.655E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 198

Physikochemische Eigenschaften

storage temp.: 0 · Store at 0-8 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

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