1,4-Dioxaspiro(4.5)decan-8-ol

HCID 567352CAS 22428-87-1

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Grundinformationen

Standard-SMILES: OC1CCC2(CC1)OCCO2
InChIKey: HKQTYQDNCKMNHZ-UHFFFAOYSA-N
Summenformel: C8H14O3
Durchschnittliche Molmasse: 158,19 g/mol
Monoisotopische Masse: 158,09429431

Namen und Bezeichner

Bevorzugter Name: 1,4-Dioxaspiro(4.5)decan-8-ol
IUPAC: 1,4-dioxaspiro[4.5]decan-8-ol
Englischer Name: 1,4-Dioxa-spiro[4.5]decan-8-ol
Summenformel: C8H14O3
Molmasse: 158.2

Namen und Synonyme

1,4-Dioxaspiro[4.5]decan-8-ol22428-87-14,4-Ethylenedioxycyclohexanol8-Hydroxy-1,4-dioxaspiro[4.5]decaneDTXSID903407851,4-Dioxaspiro(4.5)decan-8-ol1,4-dioxaspiro[4.5)decan-8-ol8-Hydroxy-1,4-dioxaspiro(4.5)decaneRefChem:220759DTXCID10291866807-318-6HKQTYQDNCKMNHZ-UHFFFAOYSA-N

Weitere Namen anzeigen

4-Dioxaspiro[4.5]decan-8-ol4,4-Ethylenedioxycyclohexanol.4,4-(Ethylenebisoxy)cyclohexanol1,4-Dioxaspiro[4.5]decan-8-ol,98%4-Hydroxycyclohexanone Ethylene Ketal4-Hydroxycyclohexanone ethylene acetal, 90+%4-Hydroxycyclohexanone ethylene glycol ketal

1,4-Dioxa-spiro[4.5]decan-8-ol4-Hydroxycyclohexanone ethylene acetalMFCD000670034-Hydroxycyclohexanone monoethylene ketalAB3685CS-W0074744-hydroxycyclohexanone ethylene monoketal1,4-dioxaspiro[4.5]-decan-8-ol

Datenbank-Bezeichner

CAS: 22428-87-1
PubChem CID: 567352
DTXSID: DTXSID90340785
EC Number: 807-318-6
Nikkaji: J129.280C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 130

Physikochemische Eigenschaften

Siedepunkt: 103 · 103-104 °C(Press: 0.55 Torr)
Dichte: 1.17 · 1.17±0.1 g/cm3(Predicted)
Brechungsindex: 1.485 · 1.485-1.487
storage temp.: 2 · Inert atmosphere,2-8°C
pka: 15.11 · 15.11±0.20(Predicted)
Aggregatzustand: Viscous Liquid
Farbe: Clear colorless
InChI: InChI=1S/C8H14O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7,9H,1-6H2
InChIKey: HKQTYQDNCKMNHZ-UHFFFAOYSA-N
SMILES: O1C2(CCC(O)CC2)OCC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.