Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate
Basic information
- CAS
2226-03-1- Standard SMILES
CC(=O)OC/C=C1/C2CCC(C2)C1(C)C- InChIKey
DVZKEXVVDIXSMK-SDQBBNPISA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate
- IUPAC
- [(2Z)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethyl] acetate
- English name
- (Z)-2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethyl acetate
- Molecular formula
- C13H20O2
- Molecular weight
- 208.3
Names & synonyms
EINECS 261-250-62-(2,2-Dimethyl-3-norbornylidene)ethyl acetateDTXSID001155751EINECS 218-754-6Ethanol, 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-, acetate, (Z)-Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetateEthanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, acetateEthanol, 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-, acetateEthanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, acetate, (Z)-Ethanol, 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-, 1-acetateRefChem:592193DTXCID601587259
Show more names
Acetic acid (Z)-2-(3,3-dimethylbicyclo[2.2.1]heptan-2-ylidene)ethyl esterEthanol, 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-, acetate, (Z)- (9CI)
261-250-6(E)-2-(3,3-Dimethylbicyclo(2.2.1)hept-2-ylidene)ethyl acetate(E)-2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethyl acetate58437-70-0(Z)-2-(3,3-Dimethylbicyclo(2.2.1)hept-2-ylidene)ethyl acetate(Z)-2-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YLIDENE)ETHYL ACETATE2226-03-1EINECS 261-251-1
Database identifiers
- CAS
2226-03-1、58437-69-7、58437-70-0- PubChem CID
- 6436714
- DTXSID
DTXSID001155751- EC Number
- 218-754-6、261-250-6、261-251-1
- Nikkaji
- J296.936J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 272.3 · 272.3±9.0 °C(Predicted)
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
- LogP
- 4.04 · 4.040 (est)
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)
Aggregated GHS information provided per 248 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Ethanol, 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-, acetate
Chemical: Ethanol, 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-, acetate, (Z)-
Other Safety Information
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-, 1-acetate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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