Methyl heptanoate 庚酸甲酯

CAS 106-73-0 MFCD00009537

化学结构图

106-73-0
SMILES: CCCCCCC(=O)OC

化学属性

Mol. FormulaC8H16O2
Mol. Weight144.21
Refractive index1.4100 to 1.4130
Boiling Point172-173 °C at 760 mmHg
Density0.880 g/mL at 20 °C(lit.)
Flash Point52°C(lit.)
Melting Point-56 °C

别名和识别编码

Chemical NameMethyl heptanoate
MDL NumberMFCD00009537
CAS Number106-73-0
Synonym Methyl heptanoate {LY} Methyl heptanoate {} {LY} Methyl heptanoate {} {} {LY} Methyl heptanoate {} {} {} {LY} Methyl heptanoate {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl heptanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
PubChem Substance ID7826
EC Number203-428-8
Beilstein Registry Number2(4)960
Reaxys-RN1747147
Chemical Name Translation庚酸甲酯
LabNetwork Molecule IDLN00226889
InChIInChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
Canonical SMILESO=C(CCCCCC)OC
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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} Additional Standards, Alcoholic & Nonalcoholic Beverages, Analytical Standards, Animal Products, Apple,
  • {SNA} Additional Standards, Alcoholic & Nonalcoholic Beverages, Analytical Standards, Animal Products, Apple, Blackberry, Cheese, Chemical Class, Cranberry, Dairy Products, Ester, Esters, Fatty Acids, Flavor and Fragrance Standards, Food & Beverage Standards, Food and Cosmetic Component Standards, Fruits, Herbs & Spices, Hop, Lipid Analytical Standards, M-R,

相关文献及参考

  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/10A Title: Heats of Mixing and Solution: Binary Liquid Systems of Nonelectrolytes Author: Grolier, J.-P.E.; Wormald, C.J.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H.V. Editor: Kehiaian; H.V. Source: Landolt-Börnstein, New Series Volume: IV/10A Year: 2004 Keyword: Nitrogen Containing; Organic Compounds; Pressure; Vapor; Vapor Pressure ISBN: 3-540-60347-6 ISBN: 978-3-540-60347-4 Internet Resource: DOI: 10.1007/b56530 RefComment: IX, 564 p. 816 illus., Hardcover RefComment: Written for scientists and engineers in the field of physical chemistry, organic chemistry, applied chemistry Abstract: This subvolume containes selected data on heats of mixing (excess enthalpies) of binary liquid mixtures of organic and inorganic nonelectrolytes, including aqueous-organic systems, in broad ranges of temperature, pressure, and composition. All the data are extracted from the original literature published from 1957 to 2003. The printed volume presents tables for 800 representative mixtures. The CD-ROM displays all these data, as well as 2853 additional data files, in PDF format and in a fully documented computer readable standard electronic file (SELF) format. Moreover, the ELBT-program allows

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSMJ2297500
Precautionary statements
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P332+P313
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P305+P351+P338+P337+P313
  • P303+P361+P353
Signal word Warning
Hazard Codes Xi
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number 3272 UN 3272 3/PG 3 1993
Packing GroupIII
Hazard Class3
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:
   26,381,1988

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:
   26,381,1988

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store a

其他信息

  • Sigma Aldrich:106-73-0(sigmaaldrich)
  • 参考质量标准:FAO/WHO,1997 含量(GT-10-4) ≥99.0% 折射率(n D 20 ) 1.4114~1.41334 相对密度(d 20 20 ) 0.87115
  • 下游产品:米索前列醇 --> 3-(2-氯-3,3,3-三氟-1-丙烯基)-2,2-二甲基环丙烷羧酸甲酯
  • TCI Shanghai:庚酸甲酯[标准物质] Methyl Heptanoate [Standard Material],>;99.5%(GC)(106-73-0)
  • 图谱信息:庚酸甲酯(106-73-0)质谱(MS) 庚酸甲酯(106-73-0)核磁图( 13 CNMR) 庚酸甲酯(106-73-0)红外图谱(IR1) 庚酸甲酯(106-73-0)Raman光谱 庚酸甲酯(106-73-0)核磁图( 1 HNMR) 庚酸甲酯(106-73-0)红外图谱(IR2)
  • 庚酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 S0305 庚酸甲酯[标准物质] Methyl Heptanoate [Standard Material for GC] 5ML 1510元 2014/06/02 H0032 庚酸甲酯 Methyl Heptanoate 500ML 1170元 2014/06/02 H0032 庚酸甲酯 Methyl Heptanoate 25ML 173元
  • 使用限量:FEMA(mg/kg):焙烤制品0.50~0.60;糖果0.33;无醇饮料0.80;冷饮0.83。 FDA(§172.515,2000):适度为限。
  • 用途一:用于有机合成及香料合成
  • 毒性:GRAS(FEMA)。 LD 50 >5 g/kg(大鼠,口授)。
  • FEMA:2705
  • MOL 文件:106-73-0.mol

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