Dihydrojasmone lactone
Basic information
- CAS
7011-83-8- Standard SMILES
CCCCCCC1(C)CCC(=O)O1- InChIKey
ALWUKGXLBSQSMA-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Overview
5-Hexyldihydro-5-methyl-2(3H)-furanone is a gamma-lactone.
Names & identifiers
- Preferred name
- Dihydrojasmone lactone
- IUPAC
- 5-hexyl-5-methyloxolan-2-one
- English name
- Dihydrojasmone lactone
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
Dihydrojasmone lactonegamma-Methyl-gamma-decanolactone4-methyl-4-decanolide2(3H)-Furanone, 5-hexyldihydro-5-methyl-gamma-Methyldecalactonegamma-Methyl decalactone5-hexyl-5-methyldihydrofuran-2(3h)-oneLactojamon5-Hexyldihydro-5-methyl-2(3H)-furanoneFEMA No. 3786DTXSID3041299.gamma.-Methyldecalactone
Show more names
FEMA 3786γ-Methyl-γ-decanolactone5-Hexyl-5-methyloxolan-2-one-Methyl-γ4-methyldecanolideγ-MethyldecalactoneΓ-Methyldecalactone
ANJ13KO1RKEINECS 230-291-1gamma-Methyl-gamma-decalactoneNSC 141822BRN 01233445-Hexyldihydro-5-methylfuran-2(3H)-one.gamma.-Methyl-.gamma.-decalactone4-Hydroxy-4-methyldecanoic acid gamma-lactone
Database identifiers
- CAS
7011-83-8- PubChem CID
- 285097
- DTXSID
DTXSID3041299- ChEMBL
CHEMBL3182347- ChEBI
CHEBI:171848- UNII
- ANJ13KO1RK
- EC Number
- 230-291-1
- Nikkaji
- J47.638B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Experimental & physicochemical properties
FragrancesFragrance Ingredient (gamma-Methyldecalactone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.930-0.950
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol; insoluble in water
(in ethanol)
Boiling Point
135.00 °C. @ 0.50 mm Hg
135 °C (0.5 mm Hg)
Refractive Index1.440-1.460
Physical Description
Liquid
clear, colourless liquid with a jasmine odour
Physicochemical properties
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
This chemical does not meet GHS hazard criteria for 91% (273 of 300) of all reports.
Not Classified
Aggregated GHS information provided per 300 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2(3H)-Furanone, 5-hexyldihydro-5-methyl-
2(3H)-Furanone, 5-hexyldihydro-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2(3H)-Furanone, 5-hexyldihydro-5-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 5-hexyldihydro-5-methylfuran-2(3H)-one (EC: 230-291-1)
2(3H)-Furanone, 5-hexyldihydro-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- HD9800000
- hs_code
- 2932190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
U.S. Production2023: 1 lb
Consumer UsesFragrance
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2(3H)-Furanone, 5-hexyldihydro-5-methyl-: ACTIVE
Preparation methods
PreparationBy cyclization of 4-methyl-4-hydroxydecanoic acid
Additional notes
DefinitionChEBI: 5-Hexyldihydro-5-methyl-2(3H)-furanone is a gamma-lactone.
Related reactions
2 records
Compound notes
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