1,2:7,8-Diepoxyoctan

1,2:7,8-Diepoxyoctane

HCID 17048CAS 2426-07-5

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Grundinformationen

Standard-SMILES: C(CCC1CO1)CC1CO1
InChIKey: LFKLPJRVSHJZPL-UHFFFAOYSA-N
Summenformel: C8H14O2
Durchschnittliche Molmasse: 142,2 g/mol
Monoisotopische Masse: 142,09937969

Namen und Bezeichner

Bevorzugter Name: 1,2:7,8-Diepoxyoctane
IUPAC: 2-[4-(oxiran-2-yl)butyl]oxirane
Lokaler Name: 1,2:7,8-Diepoxyoctan
Englischer Name: 1,2,7,8-Diepoxyoctane
Summenformel: C8H14O2
Molmasse: 142.2

Namen und Synonyme

1,2,7,8-DIEPOXYOCTANE2426-07-51,2:7,8-Diepoxyoctane1,7-Octadiene diepoxideOxirane, 2,2'-(1,4-butanediyl)bis-1,2-Epoxy-7,8-epoxyoctaneOctane, 1,2:7,8-diepoxy-2,2'-(1,4-Butanediyl)bisoxirane4IJ1M5W7LL2,2'-butane-1,4-diyldioxiraneNSC-269058J2.154G

Weitere Namen anzeigen

OCTADIENE DIEPOXIDE1,2:7,8-diepoxy-octan1,7-OCTADIENE DIOXIDE4-Buthylenebis(oxirane)1,4-Butylenebis(oxirane)

CHEBI:23705DTXSID00862928RefChem:71585DTXCID90811627219-375-91,4-Di(oxiran-2-yl)butane2-[4-(oxiran-2-yl)butyl]oxiraneMFCD00005155

Datenbank-Bezeichner

CAS: 2426-07-5
PubChem CID: 17048
DTXSID: DTXSID00862928
ChEBI: CHEBI:23705
UNII: 4IJ1M5W7LL
EC Number: 219-375-9
Nikkaji: J2.154G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 25,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 5
Schwere Atome: 10
Formalladung: 0
Komplexität: 99

Physikochemische Eigenschaften

Schmelzpunkt: 7 °C · 7°C
Siedepunkt: 240 °C · 240 °C(lit.)
Dichte: 0.997 g/mL · 0.997 g/mL at 25 °C(lit.)
Dampfdruck: 1 hPa · <1 hPa ( 20 °C)
Brechungsindex: 20 · n20/D 1.445(lit.)
Flammpunkt: 208 °F · 208 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: 7 g/l · 7g/l
Aggregatzustand: clear liquid
Wichte: 0.991 · 0.991.997
Farbe: Colorless to Light yellow
Wasserlöslichkeit: Soluble in water (partly miscible), acetone and heptane.
BRN: 104873 · 104873
InChI: InChI=1S/C8H14O2/c1(3-7-5-9-7)2-4-8-6-10-8/h7-8H,1-6H2
InChIKey: LFKLPJRVSHJZPL-UHFFFAOYSA-N
SMILES: C(C1CO1)CCCC1CO1
CAS Datenbank: 2426 · 2426-07-5(CAS DataBase Reference)
EPA chemische Informationen: 2 · Oxirane, 2,2'-(1,4-butanediyl)bis- (2426-07-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H341 (97.8%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]；H350 (88.9%): May cause cancer [Danger Carcinogenicity]

P203, P262, P264, P270, P280, P301+P317, P302+P352, P316, P318, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 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.

Gefahrenhinweise

Regulatory Information1,2,7,8-Diepoxyoctane: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 3 (100%)；Muta. 2 (97.8%)；Carc. 1B (88.9%)

Regulatorische Informationen

Regulatory Information1,2,7,8-Diepoxyoctane: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 29109000
RTECS-Nr.: RG9450000
risk_code: 22-24-68-45
hazard_code: T
safety_code: 36/37/39-45-53
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralCarc. 1BMuta. 2
Selbstentzündungstemperatur: 350°C (DIN 51794)