1H-2-Benzopyran, 3,4-dihydro-4-methyl-
Basic information
- CAS
26164-08-9- Standard SMILES
CC1COCc2ccccc21- InChIKey
KFOXDILMEHCWMS-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Names & identifiers
- Preferred name
- 1H-2-Benzopyran, 3,4-dihydro-4-methyl-
- IUPAC
- 4-methyl-3,4-dihydro-1H-isochromene
- English name
- 3,4-dihydro-4-methyl-1H-2-benzopyran
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
3,4-Dihydro-4-methyl-1H-2-benzopyran4-Methylisochroman4-methyl-isochroman1H-2-Benzopyran, 3,4-dihydro-4-methyl-FE49FN9YAPEINECS 247-490-4ISOCHROMAN, 4-METHYL-DTXSID80885337RefChem:79650DTXCID401024722247-490-426164-08-9
Show more names
4-methyl-3,4-dihydro-1H-2-benzopyranUNII-FE49FN9YAPSCHEMBL6448475SCHEMBL27938472KFOXDILMEHCWMS-UHFFFAOYSA-NNS00051428
Database identifiers
- CAS
26164-08-9- PubChem CID
- 117299
- DTXSID
DTXSID80885337- UNII
- FE49FN9YAP
- EC Number
- 247-490-4
- Nikkaji
- J308.394B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 101 °C · 101 °C(Press: 14 Torr)
- Density
- 1.039 g/cm3 · 1.039 g/cm3(Temp: 23 °C)
- FDA UNII
- 49 FN9YAP · FE49FN9YAP
- EPA Substance Registry System
- 1 H-2-Benzopyran, · 1H-2-Benzopyran, 3,4-dihydro-4-methyl- (26164-08-9)
- TSCA
- TSCA listed
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 InformationChemical: 1H-2-Benzopyran, 3,4-dihydro-4-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-2-Benzopyran, 3,4-dihydro-4-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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