6,8-Dimethylchromone-2-carboxylic acid
Basic information
- CAS
288399-57-5- Standard SMILES
Cc1cc(C)c2oc(C(=O)O)cc(=O)c2c1- InChIKey
PQUJCDXKEIHDCF-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Names & identifiers
- Preferred name
- 6,8-Dimethylchromone-2-carboxylic acid
- IUPAC
- 6,8-dimethyl-4-oxochromene-2-carboxylic acid
- English name
- 6,8-Dimethylchromone-2-carboxylic acid
- Molecular formula
- C12H10O4
- Molecular weight
- 218.21
Names & synonyms
288399-57-56,8-DIMETHYLCHROMONE-2-CARBOXYLIC ACIDDTXSID50374389RefChem:306343DTXCID803254206,8-dimethyl-4-oxo-4h-chromene-2-carboxylic acid6,8-dimethyl-4-oxochromene-2-carboxylic acidMFCD034245034H-1-Benzopyran-2-carboxylic acid, 6,8-dimethyl-4-oxo-6,8-dimethyl-4-oxo-chromene-2-carboxylic AcidSCHEMBL25343075SCHEMBL30643048
Show more names
TIMTEC-BB SBB005446JRH-00410, 6,8-Dimethyl-4-oxo-4H-chromene-2-carboxylic acid, 97%
SBB005446AKOS000505675FS-4631DB-359279CS-0318209ST50341965G84282F012040
Database identifiers
- CAS
288399-57-5- PubChem CID
- 2758554
- DTXSID
DTXSID50374389- EC Number
- 672-541-6
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Melting point
- 274 · 274-276°C
- Boiling point
- 393.1 · 393.1±42.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.38 · 2.38±0.20(Predicted)
- form
- solid
- InChI
- 1S/C12H10O4/c1-6-3-7(2)11-8(4-6)9(13)5-10(16-11)12(14)15/h3-5H,1-2H3,(H,14,15)
- InChIKey
- PQUJCDXKEIHDCF-UHFFFAOYSA-N
- SMILES
- O=C1C=C(C(O)=O)OC(C1=C2)=C(C)C=C2C
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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