Basic information
- CAS
5441-54-3- Standard SMILES
CCC(C)(C)C1CCCCC1=O- InChIKey
HDPFRPKEWXMMQO-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Names & identifiers
- Preferred name
- 2-tert-Pentylcyclohexanone
- IUPAC
- 2-(2-methylbutan-2-yl)cyclohexan-1-one
- English name
- 2-(2-methylbutan-2-yl)cyclohexan-1-one
- Molecular formula
- C11H20O
- Molecular weight
- 168.28
Names & synonyms
2-tert-Pentylcyclohexanone5441-54-32-(2-methylbutan-2-yl)cyclohexan-1-one2-IsopentylcyclohexanoneNSC-21164Cyclohexanone, 2-tert-pentyl-Cyclohexanone, 2-(1,1-dimethylpropyl)-O9099D9OXM2-(2-methylbutan-2-yl)cyclohexanoneUNII-O9099D9OXM2-(Tert-pentyl)cyclohexan-1-oneNSC21164
Show more names
Cyclohexanone,2-(1,1-dimethylpropyl)-SCHEMBL3884772DTXSID30281289DS-010690Q27285492
Database identifiers
- CAS
5441-54-3- PubChem CID
- 228337
- DTXSID
DTXSID30281289- UNII
- O9099D9OXM
- EC Number
- 174-830-8
- Nikkaji
- J559.745E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- FDA UNII
- 9099 D9OXM · O9099D9OXM
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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