Basic information
- CAS
4435-30-7- Standard SMILES
CCC1=CC(=O)CC(=O)O1- InChIKey
RUVLELZZCSEORC-UHFFFAOYSA-N- Molecular formula
- C7H8O3
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.04734411
Names & identifiers
- Preferred name
- 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione
- IUPAC
- 6-ethylpyran-2,4-dione
Names & synonyms
6-ethyl-3,4-dihydro-2H-pyran-2,4-dione4435-30-7RefChem:542990980-131-66-Ethyl-2H-pyran-2,4(3H)-dioneSCHEMBL11153068RUVLELZZCSEORC-UHFFFAOYSA-N6-Ethyl-2,3-dihydropyran-2,4-dione6-Ethyl-2H-pyran-2,4(3H)-dione #G40421EN300-25387309
Database identifiers
- CAS
4435-30-7- PubChem CID
- 550320
- EC Number
- 980-131-6
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 203
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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