基本情報
- CAS
10094-36-7- 標準SMILES
CCOC(=O)CCC1CCCCC1- InChIKey
NRVPMFHPHGBQLP-UHFFFAOYSA-N- 分子式
- C11H20O2
- 平均分子量
- 184.27 g/mol
- 単同位体質量
- 184.14632988
概要
Ethyl 3-cyclohexylpropionate is a fatty acid ester.
名称と識別子
- 優先名称
- Ethyl cyclohexane propionate
- IUPAC
- ethyl 3-cyclohexylpropanoate
- 現地名
- 3-シクロヘキシルプロピオン酸エチル
- 英語名
- Ethyl cyclohexanepropionate
- 分子式
- C11H20O2
- 分子量
- 184.28
名称と別名
Ethyl 3-cyclohexylpropanoate10094-36-7Ethyl cyclohexanepropionateCyclohexanepropanoic acid, ethyl esterEthyl 3-cyclohexylpropionateETHYL CYCLOHEXANE PROPIONATEEthyl cyclohexanepropanoateCyclohexanepropionic acid, ethyl esterEthyl hexahydrophenylpropionateEthyl cyclohexylpropionateFEMA No. 2431NSC-71463
名称をさらに表示
3-シクロヘキシルプロパン酸エチル3-シクロヘキシルプロピオン酸エチルシクロヘキサンプロピオン酸エチルエチルシクロヘキシルプロピオネートエチル 3-シクロヘキシルプロパノアートFEMA 2431ethyl3-cyclohexylpropionateEthyl3-cyclohexylpropanoateETHYL CYCLOHEXANEPROPIONATE 99+%cyclohexanepropanoicacid,ethylester3-Cyclohexyl-propionicacidethylesterETHYL CYCLOHEXANEPROPIONATE USP/EP/BP3-Cyclohexylpropanoic acid ethyl ester
TP836Y7R61EINECS 233-222-3NSC 71463AI3-13192DTXSID00143587ETHYL CYCLOHEXANE PROPIONATE [FHFI]Cyclohexanepropanoic acid, ethyl ester (9CI)Cyclohexanepropionic acid, ethyl ester (8CI)
データベース識別子
- CAS
10094-36-7- PubChem CID
- 61466
- DTXSID
DTXSID00143587- ChEBI
CHEBI:171838- UNII
- TP836Y7R61
- EC Number
- 233-222-3
- Nikkaji
- J160.454F
物性
構造計算による物性
- XLogP
- 3.5
- 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
- 5
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 148
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.926-0.932
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
91.00 to 94.00 °C. @ 8.00 mm Hg
91 °C (8 mm Hg)
Refractive Index1.444-1.452
Physical DescriptionColourless, oily liquid; fruity odour of pear-peach-banana type
物理化学的性質
- 沸点
- 91 · 91-94 °C8 mm Hg(lit.)
- 比重(密度)
- 0.94 g/mL · 0.94 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.448(lit.)
- FEMA
- 2431 · 2431 | ETHYL CYCLOHEXANEPROPIONATE
- 闪点
- 122 °F · 122 °F
- 貯蔵温度
- 0 · Store at 0-8 °C
- 溶解性
- Almost insoluble in water, soluble in alcohol and oils.
- 色
- Colorless liquid
- 臭い (Odor)
- 10 %。パワフルでフルーティーな甘いパイナップルピーチ梨 · ジプロピレングリコール中10.00%。パワフルでフルーティーな甘いパイナップルピーチ梨
- においのタイプ
- フルーティーな
- JECFA Number
- 966 · 966
- InChI
- InChI=1S/C11H20O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3
- InChIKey
- NRVPMFHPHGBQLP-UHFFFAOYSA-N
- SMILES
- C1(CCC(OCC)=O)CCCCC1
- LogP
- 3.83 · 3.83
化学的性質
化学的特性Ethyl cyclohexanepropionate has a powerful, fruity odor of pear–peach–banana type.
安全と法規制
GHS分類
GHS Classification
Warning
H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Cyclohexanepropanoic acid, ethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Cyclohexanepropanoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (97.6%)
安全データ
- wgk
- 3
- ridadr
- UN 3272 3/PG 3
- risk_code
- 10
- safety_code
- 16
- hazard_class
- 3.2
- packing_group
- III
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
Use Classification
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
応用分野
使用Sweet and fruity taste in dilutions of about 10 ppm. The power is considerably greater than that of the conventional alifatic esters. This ester is used in Europe and other countries in flavor compositions for candy, etc. In fact, the esters of Cyclohexane acetic acid, Cyclohexane propionic acid and a few homologucs, are quite popular outside of the United States of America. They are usually applied in conjunction with the lower alifatic esters to increase the overall power of the flavor.
調製方法
製造方法By esterification of ethyl cyclohexanol with propionic acid or anhydride.
上流・下流製品情報
上流原料
サプライヤー27 社
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関連反応
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化合物ノート
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