2,7-Dioxatricyclo[4.4.0.0(3,8)]decane
Basic information
- CAS
27035-39-8- Standard SMILES
C1CC2OC3CCC2OC13- InChIKey
MIYYCZYNMKENPY-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- 2,7-Dioxatricyclo[4.4.0.0(3,8)]decane
- IUPAC
- 2,7-dioxatricyclo[4.4.0.03,8]decane
- English name
- 1,2,5,6-Diepoxycyclooctane
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
2,7-Dioxatricyclo[4.4.0.0(3,8)]decaneDTXSID20949801MIYYCZYNMKENPY-UHFFFAOYSA-N2,7-Dioxatricyclo[4.4.0.0~3,8~]decane1,2,5,6-Diepoxycyclooctane1,2,5,6-Diepoxycyclooctane,96%1,2,5,6-DIEPOXYCYCLOOCTANE 96%1,2,5,6-Diepoxycyclooctane, GC 96%2,7-dioxatricyclo[4.4.0.03,8]decane2,7-Dioxatricyclo[4.4.0.03,8]decane(8CI,9CI)
Database identifiers
- CAS
27035-39-8- PubChem CID
- 549309
- DTXSID
DTXSID20949801- Nikkaji
- J308.437J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Boiling point
- 70 °C/0.04 · 70 °C/0.04 mmHg (lit.)
- Density
- 1.138 g/mL · 1.138 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.496(lit.)
- Flash point
- 221 °F · 221 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid or Low Melting Solid
- color
- Clear colorless to slightly yellow
- InChI
- 1S/C8H12O2/c1-2-6-8(10-6)4-3-7-5(1)9-7/h5-8H,1-4H2
- InChIKey
- USGYMDAUQBQWFU-UHFFFAOYSA-N
- SMILES
- C1CC2OC2CCC3OC13
- CAS DataBase Reference
- 27035 · 27035-39-8
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn
- Risk Statements
- 68 · 68-40
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29109000
- risk_code
- 68-40
- hazard_code
- Xn
- safety_code
- 36/37
- Storage Class
- 11 - Combustible Solids
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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