Hexyl isobutyrate 异丁酸己酯
CAS 2349-07-7 MFCD00027297
化学结构图
SMILES: CCCCCCOC(=O)C(C)C
化学属性
| Mol. Formula | C10H20O2 |
|---|---|
| Mol. Weight | 172.26 |
| Refractive index | n20/D 1.413(lit.) |
| Density | 0.86 g/mL at 25 °C(lit.) |
| Flash Point | 164 ºF |
| Appearance | 相对密度0.852-0.876，折光率1.399-1.421，沸点199°C，无色液体，具有苹果和菠萝的香味。 |
别名和识别编码
| Chemical Name | Hexyl isobutyrate |
|---|---|
| Synonym | Hexyl isobutyrate {LY} Hexyl isobutyrate {} {LY} Hexyl isobutyrate {} {} {LY} Hexyl isobutyrate {} {} {} {LY} Hexyl isobutyrate {} {} {} {} {LY} Hexyl isobutyrate {} {} {} {} {} {LY} Hexyl isobutyrate {} {} {} {} {} {} {LY} Hexyl isobutyrate {} {} {} {} {} {} {} {LY} Hexyl isobutyrate {} {} {} {} {} {} {} {} {LY} Hexyl isobutyrate {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Hexyl isobutyrate {} {} {} {} {} {} {} {} {} {} {LY} Hexyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} |
| MDL Number | MFCD00027297 |
| CAS Number | 2349-07-7 |
| PubChem Substance ID | 16872 |
| EC Number | 219-075-8 |
| Chemical Name Translation | 异丁酸己酯 |
| Beilstein Registry Number | 2075011 |
| LabNetwork Molecule ID | LN00194682 |
| InChI | InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3 |
| Canonical SMILES | CCCCCCOC(=O)C(C)C |
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分类
- {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
- {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, E-H, Flavors and Fragrances, G-H, H-J, Kosher Certified Products
- {SNA} Alphabetical Listings, Certified Food Grade Products, E - H, E-H,
相关文献及参考
- Short: IV/8H Title: Densities of Esters and Ethers Author: Frenkel, M.; Hong, X.; Wilhoit, R.C.; Hall, K.R. Editor: Hall, K.R.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8H Year: 2001 Keyword: organic compounds; density; liquids ISBN: 3-540-41035-X ISBN: 978-3-540-41035-5 Internet Resource: DOI:10.1007/b76770 RefComment: XI, 484 pages, with CD-ROM, Hardcover
- Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,719,1982
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,719,1982
其他信息
- 使用限量:FEMA：软饮料、冷饮、糖果、胶冻、布丁、胶姆糖，均20.0mg/kg。
- 参考质量标准:FAO/WHO，1997 含量(GT-10-4) ≥98.0% 酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.399～1.421 相对密度(d 25 25 ) 0.852～0.876
- 上游原料:异丁酸
- 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） 异丁酸己酯 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
- Sigma Aldrich:2349-07-7(sigmaaldrich)
- FEMA:3172
- 用途一:GB 2760--1996暂时允许使用的食用香料。
- 方法一:由正己醇和异丁酸直接酯化而成。
- MOL 文件:2349-07-7.mol
- 毒性:GRAS(FEMA)。
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