3-Ethyl-2-hydroxycyclopent-2-en-1-on
3-Ethyl-2-hydroxy-2-cyclopenten-1-one
Grundinformationen
- CAS
21835-01-8- Standard-SMILES
CCC1=C(O)C(=O)CC1- InChIKey
JHWFWLUAUPZUCP-UHFFFAOYSA-N- Summenformel
- C7H10O2
- Durchschnittliche Molmasse
- 126,15 g/mol
- Monoisotopische Masse
- 126,06807956
Namen und Bezeichner
- Bevorzugter Name
- 3-Ethyl-2-hydroxy-2-cyclopenten-1-one
- IUPAC
- 3-ethyl-2-hydroxycyclopent-2-en-1-one
- Lokaler Name
- 3-Ethyl-2-hydroxycyclopent-2-en-1-on
- Englischer Name
- 3-Ethyl-2-hydroxy-2-cyclopenten-1-one
- Summenformel
- C7H10O2
- Molmasse
- 126.15
Namen und Synonyme
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
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 168
Experimentelle und physikochemische Eigenschaften
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
Physikochemische Eigenschaften
- Schmelzpunkt
- 39 to · 39.0 to 43.0 °C
- Siedepunkt
- 75 °C/0.3mmHg · 75°C/0.3mmHg(lit.)
- Dichte
- 1.066 at · 1.066 at 25 °C
- Brechungsindex
- 20 · n20/D 1.476
- FEMA
- 3152 · 3152 | 3-ETHYL-2-HYDROXY-2-CYCLOPENTEN-1-ONE
- Flammpunkt
- 225 °F · 225 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- soluble in Methanol,Ether
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
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
Regulatorische Informationen
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.
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm；Extracellular
Verwendung und Herstellung
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
Darstellung
synthetischeFrom 5-methyl-3,5-dicarbethoxy-2-cyclopen-ten-2-ol-one and phosphoric acid; by a patented process; also from dimethyl adipate.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
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