Basic information
- CAS
7493-59-6- Standard SMILES
CCCCCCCCC(=O)C(C)=O- InChIKey
RMMFUALOIIVORL-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Overview
2,3-Undecanedione is an alpha-diketone.
Names & identifiers
- Preferred name
- Acetyl nonyryl
- IUPAC
- undecane-2,3-dione
- English name
- 2,3-UNDECADIONE
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
Acetyl nonyryl2,3-UNDECANEDIONE7493-59-6Acetyl nonanoylAcetyl pelargonyl2,3-UndecadioneFEMA No. 309025ODI8S42WEINECS 231-330-52,3-UNDECADIONE [FHFI]DTXSID30225906RefChem:552456
Show more names
DTXCID20148397Undecane-2,3-dioneUNII-25ODI8S42WMethylpelargonylketonSCHEMBL113817FEMA 3090CHEBI:171844AKOS006273967
Database identifiers
- CAS
7493-59-6- PubChem CID
- 61404
- DTXSID
DTXSID30225906- ChEBI
CHEBI:171844- UNII
- 25ODI8S42W
- EC Number
- 231-330-5
- Nikkaji
- J307.834E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.905-0.915
Flavoring AgentsEU Flavoring substances
Solubility
very slightly soluble in water; soluble in alcohol
(in ethanol)
Boiling Point109-111 °C (10 mm Hg)
Refractive Index1.432-1.438
Physical Descriptionoily, yellow liquid
Physicochemical properties
- FEMA
- 3090 · 3090 | 2,3-UNDECADIONE
- FLAVIS Number
- 7.021 · 07.021 | Undeca-2,3-dione
- Odor
- 1 % · at 1.00 % in dipropylene glycol. waxy aldehydic creamy fatty dairy
Safety & regulation
Hazard information
Regulatory Information
Chemical: 2,3-Undecanedione
2,3-Undecanedione: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Preparation methods
PreparationBy reacting 3-bromo-2-undecanone with sodium azide in diluted methanol and then boiling the resulting solution with concentrated HCl; also from methyl nonyl ketone via the monoxime of the title material.
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 2,3-Undecanedione is an alpha-diketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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