Bicyclo[2.2.2]octane-1,4-diol
Basic information
- CAS
1194-44-1- Standard SMILES
OC12CCC(O)(CC1)CC2- InChIKey
BHSZKPHKWKSMKX-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- Bicyclo[2.2.2]octane-1,4-diol
- IUPAC
- bicyclo[2.2.2]octane-1,4-diol
- English name
- Bicyclo[2.2.2]octane-1,4-diol
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
Bicyclo[2.2.2]octane-1,4-diol1194-44-11,4-Dihydroxybicyclo[2.2.2]octaneDTXSID80339865BICYCLO(2.2.2)OCTANE-1,4-DIOL1,4-Dihydroxybicyclo(2.2.2)octaneRefChem:329273DTXCID20290946BHSZKPHKWKSMKX-UHFFFAOYSA-NMFCD00213487SCHEMBL93062121,4-bicyclo[2.2.2]octane diol
Show more names
AKOS024337711AS-78403SY234042DB-243115CS-0049782P18815F614127
Database identifiers
- CAS
1194-44-1- PubChem CID
- 559236
- DTXSID
DTXSID80339865- EC Number
- 103-420-3
- Nikkaji
- J110.625B
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Melting point
- 282 · 282-283 °C(Solv: xylene (1330-20-7))
- Boiling point
- 246.1 · 246.1±8.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 14 · 14+-.0.40(Predicted)
- Appearance
- light yellow solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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