Basic information
- CAS
374758-76-6- Standard SMILES
CC(C)=CCOc1ccc2c3c(c(=O)oc2c1C)CCC3- InChIKey
BFWKNDJMMDSBLL-UHFFFAOYSA-N- Molecular formula
- C18H20O3
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.1412445
Names & identifiers
- Preferred name
- 6-Methyl-7-((3-methyl-2-butenyl)oxy)-2,3-dihydrocyclopenta(C)chromen-4(1H)-one
- IUPAC
- 6-methyl-7-(3-methylbut-2-enoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
- English name
- 6-methyl-7-(3-methylbut-2-enoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
- Molecular formula
- C18H20O3
- Molecular weight
- 284.35
Names & synonyms
374758-76-66-METHYL-7-((3-METHYL-2-BUTENYL)OXY)-2,3-DIHYDROCYCLOPENTA(C)CHROMEN-4(1H)-ONE6-methyl-7-((3-methylbut-2-en-1-yl)oxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one6-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2,3-dihydrocyclopenta[c]chromen-4(1H)-oneOprea1_279250Oprea1_714159STL459752AKOS0163756476-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one6-methyl-7-(3-methylbut-2-enoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-oneCyclopenta[c][1]benzopyran-4(1H)-one, 2,3-dihydro-6-methyl-7-[(3-methyl-2-buten-1-yl)oxy]-
Database identifiers
- CAS
374758-76-6- PubChem CID
- 853025
- EC Number
- 140-038-6
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 485
Physicochemical properties
- Boiling point
- 455.7 · 455.7±45.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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