Basic information
- CAS
73395-21-8- Standard SMILES
CCC(=O)OC1C2CC3C1C3(CC)C2- InChIKey
FPRVVHKYFTWIGU-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- Tricyclo(2.2.1.02,6)heptan-3-ol, 1-ethyl-, 3-propanoate
- IUPAC
- (1-ethyl-3-tricyclo[2.2.1.02,6]heptanyl) propanoate
- English name
- 1-Ethyltricyclo[2.2.1.02,6]heptan-3-ol propanoate
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
73395-21-85-Ethyltricyclo(2.2.1.03,5)hept-2-yl propionateDTXSID30868251Tricyclo(2.2.1.02,6)heptan-3-ol, 1-ethyl-, propanoateTricyclo(2.2.1.02,6)heptan-3-ol, 1-ethyl-, 3-propanoateTricyclo[2.2.1.02,6]heptan-3-ol, 1-ethyl-, propanoateTricyclo[2.2.1.02,6]heptan-3-ol, 1-ethyl-, 3-propanoateRefChem:191385DTXCID30816378FPRVVHKYFTWIGU-UHFFFAOYSA-N1-Ethyltricyclo[2.2.1.0~2,6~]heptan-3-yl propanoate1-Ethyltricyclo[2.2.1.02,6]heptan-3-ol propanoate
Show more names
(6-ethyl-1,2,3,4,5,7-hexahydrotricyclo[2.2.1.0^{2,6}]heptan-3-yl) propanoate
Database identifiers
- CAS
73395-21-8- PubChem CID
- 175477
- DTXSID
DTXSID30868251- Nikkaji
- J447.361B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 239.4 · 239.4±8.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- EPA Substance Registry System
- 2.2 · Tricyclo[2.2.1.02,6]heptan-3-ol, 1-ethyl-, propanoate (73395-21-8)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationTricyclo[2.2.1.02,6]heptan-3-ol, 1-ethyl-, 3-propanoate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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