Basic information
- CAS
16091-70-6- Standard SMILES
CC(=O)CCC1CC(=O)OC1(C)C- InChIKey
AWQSAIIDOMEEOD-UHFFFAOYSA-N- Molecular formula
- C10H16O3
- Average molar mass
- 184.23 g/mol
- Monoisotopic mass
- 184.10994437
Overview
5,5-Dimethyl-4-(3-oxobutyl)dihydro-2(3H)-furanone is a gamma-lactone.
Names & identifiers
- Preferred name
- 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone
- IUPAC
- 5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one
- English name
- Heptanoic acid lactone deriv
- Molecular formula
- C10H16O3
- Molecular weight
- 184.23224
Names & synonyms
4-HYDROXY-4-METHYL-3-(3-OXOBUTYL)-VALERIC ACID GAMMA-LACTONERefChem:523871654-173-84436-81-15,5-dimethyl-4-(3-oxobutyl)oxolan-2-one2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)-5,5-Dimethyl-4-(3-oxobutyl)dihydrofuran-2(3H)-one16091-70-6HEPTANOIC ACID LACTONE DERIVNSC456455,5-Dimethyl-4-(3-oxobutyl)dihydro-2(3H)-furanone4,5-Dihydro-5,5-dimethyl-4-(3-oxobutyl)furan-2(3H)-one
Show more names
5,5-Dimethyl-4-(3-oxo-butyl)dihydrofuran-2-oneHEPTANOIC ACID,HEPTANOIC ACID DER.5,5-Dimethyl-4-(3-oxobutyl)tetrahydrofuran-2-oneDihydro-5,5-dimethyl-4-(3-oxobutyl)-2(3H)-furanoneSCHEMBL7128855Heptanoic acid lactone derivativeAWQSAIIDOMEEOD-UHFFFAOYSA-N
Database identifiers
- CAS
16091-70-6、4436-81-1- PubChem CID
- 138243
- DTXSID
DTXSID001377145- ChEBI
CHEBI:177456
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 230
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Additional notes
DefinitionChEBI: 5,5-Dimethyl-4-(3-oxobutyl)dihydro-2(3H)-furanone is a gamma-lactone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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