Basic information
- CAS
3285-00-5- Standard SMILES
CCCCC1(C)CCC(=O)O1- InChIKey
ACJKPCSUVDMEPW-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 2(3H)-Furanone, 5-butyldihydro-5-methyl-
- IUPAC
- 5-butyl-5-methyloxolan-2-one
- English name
- 4-methyloctan-4-olide
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22214
Names & synonyms
2(3H)-Furanone, 5-butyldihydro-5-methyl-RefChem:4398744-Methyloctan-4-olide3285-00-55-butyl-5-methyloxolan-2-one5-butyl-5-methyldihydrofuran-2(3H)-one5-Butyldihydro-5-methyl-2(3H)-furanoneEINECS 221-934-7NSC1418275-butyl-5-methyl-tetrahydrofuran-2-one4-Methyl-4-octanolideN3TAF7HFR2
Show more names
5-Butyldihydro-5-methyl-3H-furan-2-one5-Butyldihydro-5-methyl-2-(3H)-furanone5-Methyl-5-butyl-4,5-dihydro-2(3H)-furanone
DTXSID30863145MFCD00459847NSC 141827NSC-1418272(3H)-Furanone,5-butyldihydro-5-methyl-DB-280634NS00048980F87953
Database identifiers
- CAS
3285-00-5- PubChem CID
- 98474
- DTXSID
DTXSID30863145- UNII
- N3TAF7HFR2
- EC Number
- 221-934-7
- Nikkaji
- J262.386B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2(3H)-Furanone, 5-butyldihydro-5-methyl-
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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