Methyl Trans-2-Nonenoate 2-壬烯酸甲酯

CAS 111-79-5 MFCD00027316

化学结构图

111-79-5
SMILES: CCCCCC/C=C/C(=O)OC

化学属性

Mol. FormulaC10H18O2
Mol. Weight170.25
Refractive indexn20/D 1.444(lit.)
Boiling Point115°C at 760 mmHg
Density0.895 g/mL at 25 °C(lit.)
Flash Point196 ºF
Appearance D 20 无色至淡黄色液体，呈紫罗兰似香气。相对密度(d 25 )1.440～1.444。不溶于水，溶于稀乙醇(1：4，70%)。 4 )0.893~0.898，折射率(n
Melting Point-89.9 °C

别名和识别编码

Chemical NameMethyl Trans-2-Nonenoate
MDL NumberMFCD00027316
CAS Number111-79-5
Synonym Methyl non-2-enoate {LY} Methyl non-2-enoate {} {LY} Methyl non-2-enoate {} {} {LY} Methyl non-2-enoate {} {} {} {LY} Methyl non-2-enoate {} {} {} {} {LY} Methyl non-2-enoate {} {} {} {} {} {LY} Methyl non-2-enoate {} {} {} {} {} {} {LY} Methyl non-2-enoate {} {} {} {} {} {} {} {LY} Methyl non-2-enoate {} {} {} {} {} {} {} {} {LY} Methyl non-2-enoate {} {} {} {} {} {} {} {} {} {LY} Methyl non-2-enoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl non-2-enoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl non-2-enoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl non-2-enoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl non-2-enoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl non-2-enoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl non-2-enoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl non-2-enoate {}
PubChem Substance ID24901291
EC Number203-908-7
Chemical Name Translation2-壬烯酸甲酯
Wiswesser Line Notation7U1VO1
Beilstein Registry Number1754167
InChIKeyZWNPUELCBZVMDA-CMDGGOBGSA-N
LabNetwork Molecule IDLN02138478
Canonical SMILESCCCCCCC=CC(=O)OC
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {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, Flavors and Fragrances, Halal Certified Products, I - N, I-N, Kosher Certified Products, L-M, M-N
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Halal Certified

相关文献及参考

  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
  • 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

GHS Symbol
WGK Germany2
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSRA9470000
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P305+P351+P338
Signal word Warning
Hazard Codes Xi,N Xi;N
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Risk Statements
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R51/53
UN Number 3082 UN 3082 9/PG 3
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 方法一:由壬酸甲酯脱氢而得。
  • 使用限量:FEMA(mg/kg)：软饮料3.2；糖果9.9；冷饮12；焙烤食品13。
  • 毒性:可安全用于食品(FDA，§172．515，2000)。
  • 用途二:GB 2760—1996规定为允许使用的食品用香料。
  • 上游原料:甲醇 --> 三乙胺 --> 丙二酸 --> 庚醛 --> 壬酸甲酯
  • 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） 2-壬烯酸甲酯 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
  • FEMA:2725
  • Sigma Aldrich:111-79-5(sigmaaldrich)
  • 用途一:用于配制日化、皂用及食用香精
  • MOL 文件:111-79-5.mol

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - Alphabetical Listings

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