Basic information
- CAS
59691-23-5- Standard SMILES
O=C[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C=CC[C@H]21- InChIKey
MOIHSCPKBNWGRI-RCZSTQMZSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 4,7-Methano-1H-indene-5-carboxaldehyde, 3a,4,5,6,7,7a-hexahydro-, (3aR,4S,5R,7S,7aR)-rel-
- IUPAC
- (1S,2R,6R,7S,8R)-tricyclo[5.2.1.02,6]dec-4-ene-8-carbaldehyde
- English name
- (3aalpha,4alpha,5alpha,7alpha,7aalpha)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene-5-carboxaldehyde
- Molecular formula
- C11H14O
- Molecular weight
- 162.22826
Names & synonyms
4,7-Methano-1H-indene-5-carboxaldehyde, 3a,4,5,6,7,7a-hexahydro-, (3aR,4S,5R,7S,7aR)-rel-EINECS 261-861-8DTXSID808863644,7-Methano-1H-indene-5-carboxaldehyde, 3a,4,5,6,7,7a-hexahydro-, (3aalpha,4alpha,5alpha,7alpha,7aalpha)-RefChem:508319DTXCID6010256954,7-Methano-1H-indene-5-carboxaldehyde, 3a,4,5,6,7,7a-hexahydro-, (3a.alpha.,4.alpha.,5.alpha.,7.alpha.,7a.alpha.)-59691-23-5(3aR,4S,5R,7S,7aR)-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene-5-carbaldehyde(3aalpha,4alpha,5alpha,7alpha,7aalpha)-3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indene-5-carboxaldehydeMOIHSCPKBNWGRI-RCZSTQMZSA-N
Database identifiers
- CAS
59691-23-5- PubChem CID
- 108809
- DTXSID
DTXSID80886364- EC Number
- 261-861-8
- Nikkaji
- J292.625C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- EPA Substance Registry System
- 4 · 4,7-Methano-1H-indene-5-carboxaldehyde, 3a,4,5,6,7,7a-hexahydro-, (3aR,4S,5R,7S,7aR)-rel- (59691-23-5)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- 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.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 36 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 4,7-Methano-1H-indene-5-carboxaldehyde, 3a,4,5,6,7,7a-hexahydro-, (3a.alpha.,4.alpha.,5.alpha.,7.alpha.,7a.alpha.)-
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H411-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4,7-Methano-1H-indene-5-carboxaldehyde, 3a,4,5,6,7,7a-hexahydro-, (3aR,4S,5R,7S,7aR)-rel-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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