Basic information
- CAS
3552-33-8- Standard SMILES
CCC1=C(C)C(=O)OC1=O- InChIKey
ZVUUAOZFEUKPLC-UHFFFAOYSA-N- Molecular formula
- C7H8O3
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.04734411
Overview
2,5-Furandione, 3-ethyl-4-methyl- has been reported in Nicotiana tabacum with data available.
Names & identifiers
- Preferred name
- 3-Ethyl-4-methyl-2,5-dihydrofuran-2,5-dione
- IUPAC
- 3-ethyl-4-methylfuran-2,5-dione
- English name
- 2,5-FURANDIONE,3-ETHYL-4-METHYL-
- Molecular formula
- C7H8O3
- Molecular weight
- 140.14
Names & synonyms
3-ethyl-4-methyl-2,5-dihydrofuran-2,5-dioneRefChem:501386102-106-33-ethyl-4-methylfuran-2,5-dione3552-33-82-Ethyl-3-methylmaleic AnhydrideEthylmethylmaleic anhydride2,5-Furandione,3-ethyl-4-methyl-2,5-Furandione, 3-ethyl-4-methyl-3-Ethyl-4-methyl-2,5-furandioneMethylathylmaleinsaureanhydridSCHEMBL3292856
Show more names
EthylMethyl Maleic Anhydride3-ethyl-4-methyl-furan-2,5-dione
DTXSID00189026DB-314004NS00127368
Database identifiers
- CAS
3552-33-8- PubChem CID
- 77091
- DTXSID
DTXSID00189026- EC Number
- 102-106-3
- Nikkaji
- J140.916F
Properties
Computed structural properties
- XLogP
- 1.1
- 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
- 225
Physicochemical properties
- Boiling point
- 131 °C · 131 °C(Press: 33 Torr)
- Density
- 1.1798 g/cm3 · 1.1798 g/cm3
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colorless
- LogP
- 0.692 · 0.692 (est)
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
Danger
H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
P260, P262, P264, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P361+P364, P363, 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. 3 (100%)
Chemistry & industry
Applications
UsesOne of the bioactive ingredients present in essential oil of the leaves of Maytenus obtusifolia (Celastraceae), showed antimicrobial activity against 13 strains of bacteria, and fungus and yeast. The oil showed significant antimicrobial activity against Sthaphylococcus aureus (ATCC 6538), Escherichia coli (ATCC 18739), Listeria monocytogenes (ATCC 9610), Candida albicans (ATCC 13803), Candida tropicalis (LM 37), Candida guilliermondii (LM V70) and Aspergillus flavus (LM 247).
Upstream & downstream products
Downstream products
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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