Basic information
- CAS
5436-15-7- Standard SMILES
CC1(C)C(=O)COC1=O- InChIKey
IIGNDGQXVATIQU-UHFFFAOYSA-N- Molecular formula
- C6H8O3
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.04734411
Names & identifiers
- Preferred name
- 3,3-dimethylfuran-2,4(3H,5H)-dione
- IUPAC
- 3,3-dimethyloxolane-2,4-dione
- English name
- 3,3-dimethylfuran-2,4(3H,5H)-dione
- Molecular formula
- C6H8O3
- Molecular weight
- 128.12592
Names & synonyms
3,3-Dimethylfuran-2,4(3H,5H)-dioneEINECS 226-604-6DTXSID40202743NSC 21367RefChem:485582DTXCID70125234226-604-65436-15-73,3-dimethyloxolane-2,4-dione3,3-Dimethyl-furan-2,4-dione3,3-dimethyl-2,4(3H,5H)-furandioneNSC-21367
Show more names
2,4(3H,5H)-Furandione, 3,3-dimethyl-
NSC21367MFCD2241821666P6TF38TJdimethyl-2,4-ox-azolidinedioneSCHEMBL9503328IIGNDGQXVATIQU-UHFFFAOYSA-NAKOS015908309SB37602
Database identifiers
- CAS
5436-15-7- PubChem CID
- 95154
- DTXSID
DTXSID40202743- UNII
- 66P6TF38TJ
- EC Number
- 226-604-6
- Nikkaji
- J218.022G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 207 · 207-212 °C
- Density
- 1.1496 g/cm3 · 1.1496 g/cm3
- FDA UNII
- 66 P6TF38TJ · 66P6TF38TJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [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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