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基本情報
- CAS
21835-01-8- 標準SMILES
CCC1=C(O)C(=O)CC1- InChIKey
JHWFWLUAUPZUCP-UHFFFAOYSA-N- 分子式
- C7H10O2
- 平均分子量
- 126.15 g/mol
- 単同位体質量
- 126.06807956
名称と識別子
- 優先名称
- 3-Ethyl-2-hydroxy-2-cyclopenten-1-one
- IUPAC
- 3-ethyl-2-hydroxycyclopent-2-en-1-one
- 現地名
- 3-エチル-2-ヒドロキシ-2-シクロペンテン-1-オン
- 英語名
- 3-Ethyl-2-hydroxy-2-cyclopenten-1-one
- 分子式
- C7H10O2
- 分子量
- 126.15
名称と別名
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
名称をさらに表示
3-エチル-2-ヒドロキシ-2-シクロペンテン-1-オン2-ヒドロキシ-3-エチル-2-シクロペンテン-1-オン3-エチル-2-ヒドロキシ-2-シクロペンテン-1-オン 溶液エチルシクロペンテノロン3-エチル-2-ヒドロキシシクロペンタ-2-エン-1-オン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
データベース識別子
- CAS
21835-01-8- PubChem CID
- 62752
- DTXSID
DTXSID0044232- ChEBI
CHEBI:184311- UNII
- XH8EA788C9
- EC Number
- 244-606-5
- Nikkaji
- J225.452B
物性
構造計算による物性補完中
- XLogP
- 0.7
- 極性表面積
- 37.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 168
実験および物理化学的性質
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
物理化学的性質
- 融点
- 39 to · 39.0 to 43.0 °C
- 沸点
- 75 °C/0.3mmHg · 75°C/0.3mmHg(lit.)
- 比重(密度)
- 1.066 at · 1.066 at 25 °C
- 屈折率
- 20 · n20/D 1.476
- FEMA
- 3152 · 3152 | 3-ETHYL-2-HYDROXY-2-CYCLOPENTEN-1-ONE
- 闪点
- 225 °F · 225 °F
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- soluble in Methanol,Ether
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 9.17 · 9.17±0.20(Predicted)
- 色
- White to Orange to Green
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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
法規制情報
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
安全データ
化学と産業
薬理情報
Cellular LocationsCytoplasm；Extracellular
用途と製造
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
応用分野
一般的な説明3-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.
調製方法
製造方法From 5-methyl-3,5-dicarbethoxy-2-cyclopen-ten-2-ol-one and phosphoric acid; by a patented process; also from dimethyl adipate.
上流・下流製品情報
上流原料
サプライヤー100 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
関連反応
2 件
化合物ノート
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