Basic information
- CAS
315233-71-7- Standard SMILES
CC(=O)Oc1ccc2c(=O)c(-c3ccccc3C)c(C)oc2c1C- InChIKey
JHZFQFGFYSOHPC-UHFFFAOYSA-N- Molecular formula
- C20H18O4
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.12050905
Names & identifiers
- Preferred name
- 2,8-dimethyl-3-(2-methylphenyl)-4-oxo-4H-chromen-7-yl acetate
- IUPAC
- [2,8-dimethyl-3-(2-methylphenyl)-4-oxochromen-7-yl] acetate
- English name
- 7-(Acetyloxy)-2,8-dimethyl-3-(2-methylphenyl)-4H-1-benzopyran-4-one
- Molecular formula
- C20H18O4
- Molecular weight
- 322.36
Names & synonyms
315233-71-72,8-dimethyl-3-(2-methylphenyl)-4-oxo-4H-chromen-7-yl acetateChemDiv3_001488Oprea1_570454Oprea1_826990F0758-0061HMS1477D14[2,8-dimethyl-3-(2-methylphenyl)-4-oxochromen-7-yl] acetateAKOS003615839IDI1_020454AF-399/14945588SR-01000443988
Show more names
7-(Acetyloxy)-2,8-dimethyl-3-(2-methylphenyl)-4H-1-benzopyran-4-one
SR-01000443988-12,8-dimethyl-4-oxo-3-(o-tolyl)-4H-chromen-7-yl acetate
Database identifiers
- CAS
315233-71-7- PubChem CID
- 746428
- EC Number
- 126-563-3
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 550
Physicochemical properties
- Boiling point
- 483.7 · 483.7±45.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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