5,8-Dimethoxy-2-methylchromone
Basic information
- CAS
7154-68-9- Standard SMILES
COc1ccc(OC)c2c(=O)cc(C)oc12- InChIKey
UFCZYGOJPCRTPW-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- 5,8-Dimethoxy-2-methylchromone
- IUPAC
- 5,8-dimethoxy-2-methylchromen-4-one
- English name
- 5,8-Dimethoxy-2-methyl-4H-1-benzopyran-4-one
- Molecular formula
- C12H12O4
- Molecular weight
- 220.22
Names & synonyms
5,8-Dimethoxy-2-methylchromone5,8-Dimethoxy-2-methyl-4H-1-benzopyran-4-oneCHROMONE, 5,8-DIMETHOXY-2-METHYL-HCM42RU6LXNSC 73723BRN 01887034-Chromanone, 5,8-dimethoxy-2-methyl-4H-1-Benzopyran-4-one, 5,8-dimethoxy-2-methyl-UNII-HCM42RU6LXNSC-73723DTXSID402217775-18-03-00225 (Beilstein Handbook Reference)
Show more names
5,8-dimethoxy-2-methyl-chromen-4-one
2-METHYL-5,8-DIMETHOXYCHROMONE5,8-DIMETHOXY-2-METHYL-4H-BENZOPYRAN-4-ONERefChem:101447DTXCID701442684H-1-Benzopyran-4-one, 5,8-dimethoxy-2-methyl-(9CI)684-734-27154-68-95,8-dimethoxy-2-methyl-4H-chromen-4-one
Database identifiers
- CAS
7154-68-9- PubChem CID
- 23543
- DTXSID
DTXSID40221777- UNII
- HCM42RU6LX
- EC Number
- 684-734-2
- Nikkaji
- J48.405I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 129 · 129-130 °C
- Boiling point
- 379.5 · 379.5±42.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- FDA UNII
- 42 RU6LX · HCM42RU6LX
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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