2-Propyl-1,3-dioxolane

HCID 179832

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Grundinformationen

CAS: 3390-13-4
Standard-SMILES: CCCC1OCCO1
InChIKey: JSDUOUVZQRZOOY-UHFFFAOYSA-N
Summenformel: C6H12O2
Durchschnittliche Molmasse: 116,16 g/mol
Monoisotopische Masse: 116,08372962

Namen und Bezeichner

Bevorzugter Name: 2-Propyl-1,3-dioxolane
IUPAC: 2-propyl-1,3-dioxolane
Englischer Name: Butanal ethylene acetal
Summenformel: C6H12O2
Molmasse: 116.16

Namen und Synonyme

2-Propyl-1,3-dioxolane3390-13-42-Propyldioxolane1,3-Dioxolane, 2-propyl-Butanal, cyclic 1,2-ethanediyl acetalDTXSID00276647RefChem:89308DTXCID90227901654-483-3JSDUOUVZQRZOOY-UHFFFAOYSA-N2-Propyl-1,3-dioxolane (Technical Grade)NSC-86115

Weitere Namen anzeigen

Butanal ethylene acetal

2-propyl dioxolaneNSC861151, 2-propyl-starbld0009875KP4Q6X9BWMButanal,2-ethanediyl acetalButyraldehyde ethylene acetalSCHEMBL26195

Datenbank-Bezeichner

CAS: 3390-13-4
PubChem CID: 179832
DTXSID: DTXSID00276647
UNII: KP4Q6X9BWM
EC Number: 654-483-3
Nikkaji: J132.816F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 57

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

832；870；837；840

888

Physikochemische Eigenschaften

Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
Aggregatzustand: Oil
Farbe: Colourless
Stabilität: Volatile
LogP: 1.102 · 1.102 (est)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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.