3-Ethyl-2-hydroxy-2-cyclopenten-1-one
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Basic information
- CAS
21835-01-8- Standard SMILES
CCC1=C(O)C(=O)CC1- InChIKey
JHWFWLUAUPZUCP-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- 3-Ethyl-2-hydroxy-2-cyclopenten-1-one
- IUPAC
- 3-ethyl-2-hydroxycyclopent-2-en-1-one
- English name
- 3-Ethyl-2-hydroxy-2-cyclopenten-1-one
- Molecular formula
- C7H10O2
- Molecular weight
- 126.15
Names & synonyms
21835-01-83-ETHYL-2-HYDROXY-2-CYCLOPENTEN-1-ONE2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-2-Hydroxy-3-ethyl-2-cyclopenten-1-oneFEMA No. 31523-Ethyl-2-cyclopenten-2-ol-1-one3-ETHYL-1,2-CYCLOPENTANEDIONEXH8EA788C9DTXSID0044232RefChem:501250DTXCID8024232244-606-5
Show more names
ETHYL CYCLOPENTENOLONEFEMA 3152Ethyl CyclopentenloneEthyl EyelopentenoloneETHYL CYCLOPENTENOLON 50%ISOVALERIC ACID 99+% FCCEthyl cyclopentenol ketoneETHYL CYCLOPENTENOLONE PUREEthyl Cyclopentenolone (50%)
3-Ethyl-2-hydroxycyclopent-2-en-1-one3-Ethyl-2-hydroxycyclopent-2-enoneEthylcycloteneETHYLCYCLOPENTENOLONE3-Ethyl-2-hydroxy-2-cyclopentenoneMFCD000123912-Hydroxy-3-ethyl-2-cyclopentene-1-oneEnol-3-Ethyl-1,2-cyclopentanedione
Database identifiers
- CAS
21835-01-8- PubChem CID
- 62752
- DTXSID
DTXSID0044232- ChEBI
CHEBI:184311- UNII
- XH8EA788C9
- EC Number
- 244-606-5
- Nikkaji
- J225.452B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
Boiling Point78.00 to 80.00 °C. @ 4.00 mm Hg
Melting Point38 - 40 °C
Physical DescriptionSolid
Kovats Retention Index
1100；1100
1140；1082；1091；1073.6；1121.2
1891；1926；1924；1894；1910；1845；1926；1892；1893；1893；1894
Physicochemical properties
- Melting point
- 39 to · 39.0 to 43.0 °C
- Boiling point
- 75 °C/0.3mmHg · 75°C/0.3mmHg(lit.)
- Density
- 1.066 at · 1.066 at 25 °C
- refractive index
- 20 · n20/D 1.476
- FEMA
- 3152 · 3152 | 3-ETHYL-2-HYDROXY-2-CYCLOPENTEN-1-ONE
- FLAVIS Number
- 7.057 · 07.057 | 3-Ethylcyclopentan-1,2-dione
- Flash point
- 225 °F · 225 °F
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 97.2% (1407 of 1448) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 1407 of 1448 companies (only 2.8% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 1448 reports by companies from 5 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1407 of 1448 reports by companies.；There are 3 notifications provided by 41 of 1448 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-
Regulation (EC) No 1831/2003 (amended)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Regulatory information
Regulatory Information
Chemical: 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-
Regulation (EC) No 1831/2003 (amended)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm；Extracellular
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-: ACTIVE
Applications
Usesflavors and fragrances
General Description3-Ethyl-2-hydroxy-2-cyclopenten-1-one is formed by thermal degradation of ascorbic acid. It is an aroma compound formed from the reactions of L-ascorbic acid with L-threonine/L-serine at different pH values.
Preparation methods
PreparationFrom 5-methyl-3,5-dicarbethoxy-2-cyclopen-ten-2-ol-one and phosphoric acid; by a patented process; also from dimethyl adipate.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 3-Ethyl-2-hydroxycyclopent-2-en-1-one is a cyclic ketone.
Suppliers
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Related reactions
2 records
Compound notes
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