基本情報
- CAS
293292-51-0- 標準SMILES
CCOC(=O)CC1(C)OCC(C)O1- InChIKey
GSIXJEIRJVOUFB-UHFFFAOYSA-N- 分子式
- C9H16O4
- 平均分子量
- 188.22 g/mol
- 単同位体質量
- 188.10485899
概要
Cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate is a fatty acid ester.
名称と識別子
- 優先名称
- Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate
- IUPAC
- ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate
- 現地名
- エチルアセトアセテ-トプロピレングリコ-ルアセタ-ル
- 英語名
- Ethyl acetoacetate propylene glycol ketal
- 分子式
- C9H16O4
- 分子量
- 188.22
名称と別名
6290-17-1ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetateEthyl acetoacetate propylene glycol ketalEthyl 2,4-dimethyl-1,3-dioxolane-2-acetate1,3-Dioxolane-2-acetic acid, 2,4-dimethyl-, ethyl esterDTXSID4047549UNII-087792Q4F6NSC 6547EINECS 228-536-2Acetoacetic acid, ethyl ester, 1,2-propylene ketal293292-51-0087792Q4F6
名称をさらに表示
エチルアセトアセテ-トプロピレングリコ-ルアセタ-ルエチル-2，4-ジメチル-1，3-ジオキソラン-2-アセテートアセト酢酸エチルプロピレングリコールケタールアセト酢酸エチルプロピレングリコールケタール, 97%2-(2,4-ジメチル-1,3-ジオキソラン-2-イル)酢酸エチル (ジアステレオ異性体混合物)FRAISTONEFraistone(kosher)Astrin strawberry esterETHYL DIMETHYL DIOXOLANE ACETATEEthyl actoacetate propyleneglycol ketalETHYL-2,4-DIMETHYL-1,3-DIOXOLANE-2-ACETATE
DTXCID2027549NSC-6547fruity ketalRefChem:138528FEMA NO. 4294ETHYL 2,4-DIMETHYL-1,3-DIOXOLANE-2-CARBOXYLATE2,4-DIMETHYL-2-((ETHOXYCARBONYL)METHYL)-1,3-DIOXOLANECIS-AND TRANS-ETHYL 2,4-DIMETHYL-1,3-DIOXOLANE-2-ACETATE
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 44.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 4
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 192
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
FragrancesFragrance Ingredient (Ethyl 2,4-dimethyldioxolane-2-acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.048-1.054
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
Soluble (in ethanol)
Boiling Point85 °C
Refractive Index1.422-1.432
Physical DescriptionColourless liquid; Soft, fruity notes
物理化学的性質
- 沸点
- 90 °C · 90°C 10mm
- 比重(密度)
- 1.042 g/mL · 1.042 g/mL at 25 °C(lit.)
- 蒸気圧
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 99.6% (269 of 270) of all reports.
Not Classified
Aggregated GHS information provided per 270 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 1,3-Dioxolane-2-acetic acid, 2,4-dimethyl-, ethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate (EC: 228-536-2)
1,3-Dioxolane-2-acetic acid, 2,4-dimethyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
- hs_code
- 2932990090
- safety_code
- 24/25-23
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Household ProductsInformation on 1 consumer products that contain Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information1,3-Dioxolane-2-acetic acid, 2,4-dimethyl-, ethyl ester: ACTIVE
調製方法
ETHYL ACETOACETATE PROPYLENE GLYCOL KETAL can be produced from Propylene glycol and Ethyl acetoacetate. The latter acts as a ketone to condense with the glycol. The condcnsat ion is normally encouraged by a catalyst and carried out under conditions of azeotropic distillation.
上流・下流製品情報
上流原料
サプライヤー100 社
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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