基本情報
- CAS
21722-83-8- 標準SMILES
CC(=O)OCCC1CCCCC1- InChIKey
NOTFZGFABLVTIG-UHFFFAOYSA-N- 分子式
- C10H18O2
- 平均分子量
- 170.25 g/mol
- 単同位体質量
- 170.13067981
概要
Cyclohexylethyl acetate is a carboxylic ester.
名称と識別子
- 優先名称
- Cyclohexaneethyl acetate
- IUPAC
- 2-cyclohexylethyl acetate
- 現地名
- 2-シクロヘキシルエチル=アセタート
- 英語名
- FEMA 2348
- 分子式
- C10H18O2
- 分子量
- 170.25
名称と別名
2-Cyclohexylethyl acetateCyclohexylethyl acetate21722-83-8Cyclohexaneethyl acetateCyclohexaneethanol, acetateEthylcyclohexyl acetateHexahydrophenethyl acetateHexahydrophenyl ethyl acetateCyclohexane ethyl acetateCyclohexaneethanol, 1-acetateACETIC ACID, CYCLOHEXYLETHYL ESTERFEMA No. 2348
名称をさらに表示
2-シクロヘキシルエチル=アセタート酢酸2-シクロヘキシルエチルシクロヘキシルエチルアセテ-トCYCLOHEXYL ETHYL ACETATEFEMA 2348FEMA 2348 USP/EP/BPCYCLOHEXYLETHYLACETAT2-CyclohexylethylacetatCYCLOHEXANETHANYL ACETATECYCLOHEXYLETHANOL ACETATECyclohexaneethanolacetate
Cyclohexaneethanol acetateDTXSID304718815W91S5XTZNOTFZGFABLVTIG-UHFFFAOYSA-EINECS 244-543-3BRN 2244135AI3-17442DTXCID1027188
データベース識別子
- CAS
21722-83-8- PubChem CID
- 30771
- DTXSID
DTXSID3047188- ChEMBL
CHEMBL3560993- ChEBI
CHEBI:180232- UNII
- 15W91S5XTZ
- EC Number
- 244-543-3
- Nikkaji
- J33.453G
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 4
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 137
実験および物理化学的性質
FragrancesFragrance Ingredient (Cyclohexaneethyl acetate) -> IFRA transparency List
LogP3.510
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.945-0.948
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
222.00 °C. @ 760.00 mm Hg
211 °C (766 mm Hg)
Refractive Index1.442-1.450
Physical DescriptionColourless oily liquid; powerful, sweet-fruity odour of considerable tenacity.
物理化学的性質
- 沸点
- 222 °C · 222 °C(lit.)
- 比重(密度)
- 0.95 g/mL · 0.95 g/mL at 25 °C(lit.)
- 蒸気圧
- 86 hPa · 86hPa at 20℃
- FEMA
- 2348 · 2348 | CYCLOHEXANEETHYL ACETATE
- 屈折率
- 20 · n20/D 1.448(lit.)
- 闪点
- 178 °F · 178 °F
- 色
- 無色の油状液体。
- 臭い (Odor)
- 100 %で。ミント · 100.00%で。ミント ローズ ラズベリー 植物のようなプラスチック グリーン
- においのタイプ
- 花柄
- JECFA Number
- 964 · 964
- 化粧品成分の機能
- 香料香料
- LogP
- 4.3 at · 4.3 at 20℃
- EPAの化学物質情報
- Cyclohexaneethanol, acetate (21722-83-8)
化学的性質
化学的特性Colorless transparent liquid
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 97.6% (1529 of 1566) of all reports.
Not Classified
Aggregated GHS information provided per 1566 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Cyclohexaneethanol, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2-cyclohexylethyl acetate (EC: 244-543-3)
Cyclohexaneethanol, acetate: 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.
Hazard Classes and CategoriesNot Classified
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- AG5095000
- 毒性
- The acute oral LD50 value in rats was reported as 3.2 g/kg and the acute dermal LD50 value in rabbits as 5 g/kg (Wohl, 1974).
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
Household ProductsInformation on 3 consumer products that contain Cyclohexaneethyl acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
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
General Manufacturing InformationCyclohexaneethanol, 1-acetate: ACTIVE
応用分野
天然物の起源Reported found in beli (Aegle marmelos Correa) and passion fruit juice.
調製方法
製造方法From the corresponding alcohol by acetylation with sodium acetate in acetic acid solution.
サプライヤー18 社
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
江西林缘香料有限公司13879661494 13879661494 · [email protected]
扬州瑞宏生物科技有限公司0514-015380367604 15380367604 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江西国恩香精香料有限公司17379691226 17379691226 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…