Basic information
- CAS
14002-89-2- Standard SMILES
Cc1ccc2oc(=O)cc(C)c2c1- InChIKey
VSSFMDMVOWSDBX-UHFFFAOYSA-N- Molecular formula
- C11H10O2
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.06807956
Names & identifiers
- Preferred name
- 4,6-Dimethyl-2-benzopyrone
- IUPAC
- 4,6-dimethylchromen-2-one
- English name
- 4,6-dimethyl-2-benzopyrone
- Molecular formula
- C11H10O2
- Molecular weight
- 174.2
Names & synonyms
14002-89-24,6-Dimethyl-2-benzopyrone4,6-dimethylcoumarin4,6-Dimethyl-2H-1-benzopyran-2-one8XP83D2QLV2H-1-Benzopyran-2-one, 4,6-dimethyl-EINECS 237-806-9NSC-108416AI3-08083DTXSID90161215COUMARIN, 4,6-DIMETHYL-NSC 108416
Show more names
RefChem:508124DTXCID5083706237-806-94,6-Dimethyl-2H-chromen-2-one2H-1-Benzopyran-2-one,4,6-dimethyl-4,6-dimethylchromen-2-oneNSC108416UNII-8XP83D2QLV
Database identifiers
- CAS
14002-89-2- PubChem CID
- 84153
- DTXSID
DTXSID90161215- ChEMBL
CHEMBL406696- UNII
- 8XP83D2QLV
- EC Number
- 237-806-9
- Nikkaji
- J216.816B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 255
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- 152 °C · 152 °C
- Boiling point
- 311.3 · 311.3±21.0 °C(Predicted)
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- FDA UNII
- 8 XP83D2QLV · 8XP83D2QLV
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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