Basic information
- CAS
40923-58-8- Standard SMILES
CCCC1CC(C)OC1=O- InChIKey
NMNZFIPBKPDLGC-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- Dihydro-5-methyl-3-propyl-2(3H)-furanone
- IUPAC
- 5-methyl-3-propyloxolan-2-one
- English name
- -Valprolactone
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
40923-58-8DIHYDRO-5-METHYL-3-PROPYL-2(3H)-FURANONEDTXSID10335572RefChem:338242DTXCID602866615-methyl-3-propyloxolan-2-onegamma-ValprolactonePentanoic acid, 4-hydroxy-2-propyl, lactone, # 15-methyl-3-propyldihydrofuran-2(3H)-oneSCHEMBL576057Pentanoic acid, 4-hydroxy-2-propyl, lactone, # 2NMNZFIPBKPDLGC-UHFFFAOYSA-N
Show more names
-Valprolactoneγ-Valprolactone4-Hydroxyvalproic Acid -Lactone-Hydroxy-a-ropylvleric Acid Lactone-Hydroxy-α-ropylvleric Acid Lactone4-Hydroxy-2-propylvaleric Acid Lactone2(3H)-Furanone, dihydro-5-methyl-3-propyl-
MFCD01821307AKOS0062784885-methyl-3-propyltetrahydrofuran-2-one5-methyl-3-propyl-tetrahydrofuran-2-one
Database identifiers
- CAS
40923-58-8- PubChem CID
- 526141
- DTXSID
DTXSID10335572- Nikkaji
- J601.805J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 106 · 106-110C/4-5 torr
- Density
- 0.975 g/cm3 · 0.975 g/cm3(Temp: 15 °C)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless
Chemistry & industry
Applications
UsesA metabolite of valproic acid.
Upstream & downstream products
Upstream raw materials
Suppliers4 total
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [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
0 records
No reaction records under the current filter.
Compound notes
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