Basic information
- CAS
17369-61-8- Standard SMILES
CCC1(C)C(C)C(=O)C=C(C)C1C- InChIKey
NWRKGLAPSUFTME-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- 5-Ethyl-3,4,5,6-tetramethyl-2-cyclohexenone
- IUPAC
- 5-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one
- English name
- 5-ethyl-3,4,5,6-tetramethylcyclohexen-2-one
- Molecular formula
- C12H21O
- Molecular weight
- 181.29454
Names & synonyms
17369-61-85-Ethyl-3,4,5,6-tetramethyl-2-cyclohexen-1-oneLPZ81BCM3U5-Ethyl-3,4,5,6-tetramethyl-2-cyclohexenoneEINECS 241-404-9FEMA NO. 3061, 3,4,5,6-TETRAMETHYL-2-CYCLOHEXEN-1-ONE, 5-ETHYL-3,4,5,6-TETRAMETHYL-RefChem:535520(+-)-5-ETHYL-3,4,5,6-TETRAMETHYL-2-CYCLOHEXENONE5-ETHYL-3,4,5,6-TETRAMETHYL-2-CYCLOHEXENONE, (+-)-5-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one5-Ethyl-3,4,5,6-tetramethylcyclohexen-2-one
Show more names
UNII-LPZ81BCM3USCHEMBL3505903DTXSID70938422NWRKGLAPSUFTME-UHFFFAOYSA-NQ27283118(+/-)-5-ETHYL-3,4,5,6-TETRAMETHYL-2-CYCLOHEXENONE5-ETHYL-3,4,5,6-TETRAMETHYL-2-CYCLOHEXENONE, (+/-)-
Database identifiers
- CAS
17369-61-8- PubChem CID
- 86559
- DTXSID
DTXSID70938422- UNII
- LPZ81BCM3U
- EC Number
- 241-404-9
- Nikkaji
- J287.028B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Odor
- 100 % · at 100.00 %. warm caramel fruity spicy
- Odor Type
- caramellic
- LogP
- 3.59 · 3.59
- FDA UNII
- 81 BCM3U · LPZ81BCM3U
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: 2-Cyclohexen-1-one, 5-ethyl-3,4,5,6-tetramethyl-
2-Cyclohexen-1-one, 5-ethyl-3,4,5,6-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Suppliers1 total
Chemical sources Association Inc—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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