Basic information
- CAS
42348-12-9- Standard SMILES
CCC1=C(O)C(=O)CC1C- InChIKey
RSVAFMGHIDKYKB-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Overview
3-Ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one is a cyclic ketone.
Names & identifiers
- Preferred name
- 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-
- IUPAC
- 3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one
- English name
- 3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
3-Ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one42348-12-93-Ethyl-4-methylcyclotene3-Ethyl-2-hydroxy-4-methyl-2-cyclopenten-1-one2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-DTXSID50885864RefChem:470973DTXCID001025223EINECS 255-767-62-Cyclopenten-1-one,3-ethyl-2-hydroxy-4-methyl-2-Cyclopenten-1-one, 2-hydroxy-3-ethyl-4-methylSCHEMBL1843664
Show more names
3-ETHYL-4-METHYL CYCLOTENE4-Methyl-3-ethylcyclopentane-1,2-dione, 98%3-ETHYL-2-HYDROXY-4-METHYL-2-CYCLOPENTEN-1-ON3-Ethyl-2-hyudroxy-4-methylcyclopent-2-en-1-one2-Hydroxy-3-ethyl-4-methyl-2-cyclopentene-1-one3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one USP/EP/BP
FEMA 3453CHEBI:185027EAA28277AKOS006326871NS00012412
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.055-1.061
Flavoring AgentsEU Flavoring substances
Solubility
slightly
slightly insoluble in water; soluble in fat; miscible with ethanol
(in ethanol)
Boiling Point260.00 to 261.00 °C. @ 760.00 mm Hg
Refractive Index1.481-1.487
Physicochemical properties
- Boiling point
- 260.5 · 260.5±40.0 °C(Predicted)
- Density
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- FEMA
- 3453 · 3453 | 3-ETHYL-2-HYDROXY-4-METHYLCYCLOPENT-2-EN-1-ONE
- FLAVIS Number
- 7.117 · 07.117 | 3-Ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one
- pka
- 9.18 · 9.18±0.40(Predicted)
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 Information
Chemical: 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-: Environment tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-: INACTIVE
Applications
OccurrenceReported found in coffee.
Uses3-Ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one is used as food flavorings.
Suppliers9 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海慧慈医药科技有限公司133-31922809 19372841038 · [email protected]
BOC Sciences[email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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