Dihydro-4-methyl-5-(3-methylbutyl)-2(3H)-furanone
Basic information
- CAS
5561-08-0- Standard SMILES
CC(C)CCC1OC(=O)CC1C- InChIKey
IENYEYYNDKAHNV-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- Dihydro-4-methyl-5-(3-methylbutyl)-2(3H)-furanone
- IUPAC
- 4-methyl-5-(3-methylbutyl)oxolan-2-one
- English name
- dihydro-4-methyl-5-(3-methylbutyl)furan-2(3H)-one
- Molecular formula
- C10H18O2
- Molecular weight
- 170.24872
Names & synonyms
5561-08-02(3H)-Furanone, dihydro-4-methyl-5-(3-methylbutyl)-EINECS 226-935-6UNII-WGX31S9DA1WGX31S9DA1DTXSID808635594,5-Dihydro-4-methyl-5-(3-methylbutyl)-2(3H)furanone4,5-Dihydro-4-methyl-5-(3-methylbutyl)-2(3H)-furanoneDihydro-4-methyl-5-(3-methylbutyl)-2(3H)-furanoneRefChem:133700DTXCID30812158Octanoic acid, 4-hydroxy-3,7-dimethyl-, .gamma.-lactone
Show more names
dihydro-4-methyl-5-methyl butyl furanone
OCTANOIC ACID, 4-HYDROXY-3,7-DIMETHYL-, GAMMA-LACTONE226-935-64-methyl-5-(3-methylbutyl)oxolan-2-oneDihydro-4-methyl-5-(3-methylbutyl)furan-2(3H)-oneSCHEMBL10764470IENYEYYNDKAHNV-UHFFFAOYSA-NNS00012245
Database identifiers
- CAS
5561-08-0- PubChem CID
- 110667
- DTXSID
DTXSID80863559- EC Number
- 226-935-6
- Nikkaji
- J225.021G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.322 · 2.322 (est)
- FDA UNII
- 31 S9DA1 · WGX31S9DA1
- EPA Substance Registry System
- 2 · 2(3H)-Furanone, dihydro-4-methyl-5-(3-methylbutyl)- (5561-08-0)
- TSCA
- TSCA listed
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, dihydro-4-methyl-5-(3-methylbutyl)-
Other Safety InformationIMAP assessments - 2(3H)-Furanone, dihydro-4-methyl-5-(3-methylbutyl)-: Environment tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2(3H)-Furanone, dihydro-4-methyl-5-(3-methylbutyl)-: INACTIVE
Suppliers
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Compound notes
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