1,2:7,8-Diepoxyoctane

HCID 17048CAS 2426-07-5
Substructure searchFind similar structures

Basic information

Standard SMILES
C(CCC1CO1)CC1CO1
InChIKey
LFKLPJRVSHJZPL-UHFFFAOYSA-N
Molecular formula
C8H14O2
Average molar mass
142.2 g/mol
Monoisotopic mass
142.09937969

Names & identifiers

Preferred name
1,2:7,8-Diepoxyoctane
IUPAC
2-[4-(oxiran-2-yl)butyl]oxirane
English name
1,2,7,8-Diepoxyoctane
Molecular formula
C8H14O2
Molecular weight
142.2

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
1
Topological polar surface area
25.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
10

Physicochemical properties

Melting point
7 °C · 7°C
Boiling point
240 °C · 240 °C(lit.)
Density
0.997 g/mL · 0.997 g/mL at 25 °C(lit.)
vapor pressure
1 hPa · <1 hPa ( 20 °C)
refractive index
20 · n20/D 1.445(lit.)
Flash point
208 °F · 208 °F

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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%)

Regulatory information

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

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
rtecs
RG9450000
ridadr
UN 2810 6.1/PG 3
hs_code
29109000
risk_code
22-24-68-45

Chemistry & industry

Applications

Usessuzuki reaction

Uses1,2,7,8-Diepoxyoctane is used as an organic chemical synthesis intermediate.

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Additional notes

DefinitionChEBI: 1,2:7,8-diepoxyoctane is an epoxide. It has a role as a mutagen. It derives from a hydride of an octane.

Related reactions

4 records
New reaction record

Linked notes

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