3-Cyclohexyl-2-methylacrylic acid
Basic information
- CAS
882864-03-1- Standard SMILES
C/C(=C\C1CCCCC1)C(=O)O- InChIKey
MEKATFFSLMQMRX-BQYQJAHWSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 3-Cyclohexyl-2-methylacrylic acid
- IUPAC
- (E)-3-cyclohexyl-2-methylprop-2-enoic acid
Names & synonyms
3-Cyclohexyl-2-methylacrylic acidRefChem:500804882864-03-1669-207-7SCHEMBL111090AKOS006294493
Database identifiers
- CAS
882864-03-1- PubChem CID
- 14713045
- EC Number
- 669-207-7
- Nikkaji
- J1.819.419H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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