Basic information
- CAS
3649-05-6- Standard SMILES
Cc1cc(C)c2c(c1C)OCCC2=O- InChIKey
GADBCKYQDPZHNJ-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- 5,7,8-trimethyl-2,3-dihydro-4H-chromen-4-one
- IUPAC
- 5,7,8-trimethyl-2,3-dihydrochromen-4-one
- English name
- 5,7,8-Trimethyl-2,3-dihydro-4H-chromen-4-one
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
5,7,8-TRIMETHYLCHROMAN-4-ONE3649-05-65,7,8-trimethyl-2,3-dihydro-4H-chromen-4-oneMFCD11207532AT17207SY3757714H-1-Benzopyran-4-one, 2,3-dihydro-5,7,8-trimethyl-
Database identifiers
- CAS
3649-05-6- PubChem CID
- 12371404
- EC Number
- 808-852-2
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 42 · 42-43 °C(Solv: methanol (67-56-1))
- Boiling point
- 100 · 100-120 °C(Press: 2 Torr)
- Density
- 1.102 · 1.102±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H411
- 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, P273, P301+P317, P330, P391, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H411
- Precautionary statements
- P264-P270-P301+P312-P330-P501
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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