Basic information
- CAS
19620-37-2- Standard SMILES
CC1=CC(O)CC(C)(C)C1=O- InChIKey
CZWSBAFIAZKCRV-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Overview
4-Hydroxy-2,6,6-trimethylcyclohex-2-en-1-one has been reported in Nicotiana tabacum with data available.
Names & identifiers
- Preferred name
- 4-Hydroxy-2,6,6-trimethyl-2-cyclohexen-1-one
- IUPAC
- 4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-one
- English name
- 4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-one
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
4-Hydroxy-2,6,6-trimethylcyclohex-2-en-1-one19620-37-2DTXSID00941388RefChem:10707434-hydroxy-2,6,6-trimethyl-2-cyclohexen-1-oneDTXCID001002491243-192-32,6,6-Trimethylcyclohex-2-en-4-ol-1-oneEINECS 243-192-31,1,3-Trimethyl-5-hydroxy-3-cyclohexen-2-one; 2,6,6-Trimethyl-4-hydroxycyclohex-2-en-1-one; 4-Hydroxy-2,6,6-trimethyl-2-cyclohexen-1-one;starbld0005800SCHEMBL3630532
Show more names
2-Cyclohexen-1-one, 4-hydroxy-2,6,6-trimethyl-(+/-)-4-hydroxy-2,6,6-trimethyl-2-cyclohexenone
CZWSBAFIAZKCRV-UHFFFAOYSA-NNS00047551
Database identifiers
- CAS
19620-37-2- PubChem CID
- 89193
- DTXSID
DTXSID00941388- EC Number
- 243-192-3
- Nikkaji
- J225.240F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 258.8 · 258.8±39.0 °C(Predicted)
- Density
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- pka
- 13.53 · 13.53±0.60(Predicted)
- color
- Clear Colourless to Yellow
- LogP
- 0.542 · 0.542 (est)
Chemistry & industry
Applications
Uses2,6,6-Trimethylcyclohex-2-en-4-ol-1-one is an carotenoid degradation product found in paprika powder.
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…