Ethyl acetoacetate is an ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol.
定义
Ethyl acetoacetate is an ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol. It has a role as an antibacterial agent, a flavouring agent and a plant metabolite. It is functionally related to an acetoacetic acid.
来源: PubChem
美国FDA 物质登记 · UNII IZP61H3TB1 · 登记名称 Ethyl acetoacetate · 单一化学物质
化妆品中的作用
安全与法规参考
未列入韩国有毒物质 GHS 分类 · 现有化学物质
详细资料——标示名称、识别编号、物性、试验记录、文献
官方标示名称和定义
日本化妆品工业联合会标示名称 アセト酢酸エチル: 本品は、次の化学式で表される有機化合物である。
来源: 日本化妆品工业联合会标示名称
别名和识别信息
- CAS No.化学物质登记号
- 141-97-9
- EC No.欧盟化学品目录编号
- 205-516-1
- DTXSID美国EPA化学品编号
- DTXSID2027092
- DTXCID美国EPA化合物编号
- DTXCID207092
- IUPAC
- Ethyl 3-oxobutanoate
- 分子式
- C6H10O3
- 分子量
- 130.143 g/mol
实测物性
- 性状
- Ethyl acetoacetate appears as a colorless liquid with a fruity odor. Flash point 185 °F. Boiling point 365 °F. May cause adverse health effects if ingested or inhaled. May irritate to skin, eyes and mucous membranes. Used in organic synthesis and in lacquers and paints. · Dry Powder, Liquid
- 气味
- PLEASANT GREEN, FRUITY, RUM ODOR
- 沸点
- 363 °F at 760 mmHg (USCG, 1999) · 180.8 °C AT 760 MM HG
- 熔点
- less than -112 °F (USCG, 1999) · -45 °C
- 溶解性
- SOL IN ABOUT 35 PARTS WATER · SOL IN BENZENE, & CHLOROFORM, MISCIBLE WITH ETHER, & ACETONE
- 密度
- 1.028 at 68 °F (USCG, 1999) - Denser than water, will sink · 1.0282 AT 20 °C/4 °C
- 颜色
- 无色
- 熔点/凝固点
- -45 ℃
- 初沸点和沸程
- 181 ℃
- 闪点
- 70 ℃
- 燃烧或爆炸范围上限/下限
- 54.0 / 1.0 %
- 蒸气压
- 0.78 ㎜Hg (at 25C)
- 溶解度
- 110000 ㎎/ℓ (at 17C)
- 蒸气密度
- 4.48 ()
- 比重
- 1.0250 ()
- 正辛醇/水分配系数（Kow）
- 0.25
- 自燃温度
- 295 ℃
- 分子量
- 130.1
这是对物质本身测得的数值。韩国安全保健公团（KOSHA）的资料仅供编写和审核安全数据表参考，并非原料商品的规格。
来源: PubChem · 韩国安全保健公团 安全数据表
产品实际使用的用途
这是向美国 EPA 申报含该成分的 93 款产品的用途。其中包括化妆品以外的产品，排在前几行的即为该成分的主要用途。
- Fragrance85
- Solvent3
- Flavouring and nutrient3
- Intermediate2
来源: 美国EPA CompTox
刺激与致敏试验记录
记录有皮肤试验 5 项、眼部试验 3 项。
试验结论基本一致（100%）。 这是对原料本身的试验记录，与成品中所含浓度下的刺激性不同。
查看全部 8 项试验
- Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) according to - Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · other guideline: DOT (Transport-Classification) Guideliens according to - Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · according to OECD Guideline 406 (Skin Sensitisation) of 12 May 1981 (Footpad method) - Classification not possible
Skin Sensitization · Screening - Not classified
Skin Irritation · Screening - Category 2B
Eye Irritation · Screening - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) according to - Category 6.4A (Category 2A)
Eye Irritation · Read Across
来源: 美国EPA CompTox
相关文献
- Pyrazolones as a potential anticancer scaffold: Recent trends and future perspectives · 2021
- Synthesis and characterization of new 4H-chromene-3-carboxylates ensuring potent elastase inhibition activity along with their molecular docking and chemoinformatics properties. · 2020
- Scientific Opinion on the safety and efficacy of primary aliphatic saturated or unsaturated alcohols/aldehydes/acids/acetals/esters with a second primary, secondary or tertiary oxygenated functional group including aliphatic lactones (chemical group 9) when used as flavourings for all animal species · 2012