7-Methyl-1,4-dioxaspiro[4.5]decan-8-one

HCID 270628

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Grundinformationen

CAS: 702-69-2
Standard-SMILES: CC1CC2(CCC1=O)OCCO2
InChIKey: AFCOTJOAYFEMMV-UHFFFAOYSA-N
Summenformel: C9H14O3
Durchschnittliche Molmasse: 170,21 g/mol
Monoisotopische Masse: 170,0942943

Namen und Bezeichner

Bevorzugter Name: 7-Methyl-1,4-dioxaspiro[4.5]decan-8-one
IUPAC: 7-methyl-1,4-dioxaspiro[4.5]decan-8-one
Englischer Name: 7-METHYL-1,4-DIOXA-SPIRO[4.5]DECAN-8-ONE
Summenformel: C9H14O3
Molmasse: 170.21

Namen und Synonyme

7-methyl-1,4-dioxaspiro[4.5]decan-8-oneDTXSID702970217-Methyl-1,4-dioxaspiro(4.5)decan-8-oneRefChem:546758DTXCID10248158857-891-1702-69-27-methyl-1,4-dioxa-spiro[4.5]decan-8-oneMFCD131899571,4-Dioxaspiro[4.5]decan-8-one, 7-methyl-NSC113128SCHEMBL1187321

Weitere Namen anzeigen

112530NSC 1131284,4-(Ethylenedioxy)-2-methylcyclohexanone)-4,4-Ethylenedioxy-2-methylcyclohexanone5,5-Ethylenedioxy-1-methylcyclohexan-2-one

CS-B1179AKOS015999869NSC-113128AB69465DS-17949SY0334714,4-ethylenedioxy-2-methyl-1-cyclohexanoneDB-333780

Datenbank-Bezeichner

CAS: 702-69-2
PubChem CID: 270628
DTXSID: DTXSID70297021
EC Number: 857-891-1
Nikkaji: J1.295.108F

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: 12
Formalladung: 0
Komplexität: 194

Physikochemische Eigenschaften

Siedepunkt: 98 · 98-100℃ (4 Torr)
Dichte: 1.12 · 1.12±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C9H14O3/c1-7-6-9(3-2-8(7)10)11-4-5-12-9/h7H,2-6H2,1H3
InChIKey: AFCOTJOAYFEMMV-UHFFFAOYSA-N
SMILES: O1C2(CCC(=O)C(C)C2)OCC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；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]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.