Basic information
- CAS
565184-50-1- Standard SMILES
COC(=O)C1C2CCC1C2- InChIKey
QOEWQLUGTNSPSI-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- Methyl bicyclo[2.1.1]hexane-5-carboxylate
- IUPAC
- methyl bicyclo[2.1.1]hexane-5-carboxylate
- English name
- Bicyclo[2.1.1]hexane-5-carboxylic acid, methyl ester (9CI)
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
methyl bicyclo[2.1.1]hexane-5-carboxylateDTXSID10330461methyl bicyclo(2.1.1)hexane-5-carboxylateRefChem:817656DTXCID20281556103-719-9565184-50-1NSC260891NSC-260891methyl bicyclo[2,1,1 ]hexane-5-carboxylateBicyclo[2.1.1]hexane-5-carboxylic acid, methyl esterBicyclo[2.1.1]hexane-5-carboxylic acid, methyl ester (9CI)
Database identifiers
- CAS
565184-50-1- PubChem CID
- 429640
- DTXSID
DTXSID10330461- EC Number
- 103-719-9
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 183.1 · 183.1±8.0 °C(Predicted)
- Density
- 1.12 · 1.120±0.06 g/cm3(Predicted)
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, 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 CategoriesFlam. Liq. 3 (100%)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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