1,2:7,8-Diepoxyoctane
Basic information
- CAS
2426-07-5- Standard SMILES
C(CCC1CO1)CC1CO1- InChIKey
LFKLPJRVSHJZPL-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Overview
1,2:7,8-diepoxyoctane is an epoxide. It has a role as a mutagen. It derives from a hydride of an octane.
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-DIEPOXYOCTANE2426-07-51,7-Octadiene diepoxide1,2:7,8-Diepoxyoctane1,2-Epoxy-7,8-epoxyoctaneOxirane, 2,2'-(1,4-butanediyl)bis-Octane, 1,2:7,8-diepoxy-2,2'-(1,4-Butanediyl)bisoxirane4IJ1M5W7LL2,2'-butane-1,4-diyldioxiraneCHEBI:23705DTXSID00862928
Show more names
OCTADIENE DIEPOXIDE1,2:7,8-diepoxy-octan1,7-OCTADIENE DIOXIDE4-Buthylenebis(oxirane)1,4-Butylenebis(oxirane)
NSC-269058J2.154GRefChem: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
- Formal charge
- 0
- Complexity
- 99.8
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
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
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 7 g/l · 7g/l
- form
- clear liquid
- Specific Gravity
- 0.991 · 0.991.997
- color
- Colorless to Light yellow
- Water Solubility
- Soluble in water (partly miscible), acetone and heptane.
- BRN
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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.
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%)
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
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T
- safety_code
- 36/37/39-45-53
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Chemistry & industry
Applications
Usessuzuki reaction
Uses1,2,7,8-Diepoxyoctane is used as an organic chemical synthesis intermediate.
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
Compound notes
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