Cyclohexyl Acetate 乙酸环己酯

CAS 622-45-7 MFCD00003850

化学结构图

622-45-7
SMILES:

化学属性

Mol. FormulaC8H14O2
Mol. Weight142
Refractive index1.4390 to 1.4420
Boiling Point172-173
Density0.966
Flash Point58°C(lit.)
Melting Point-77 °C
Solubility不溶于水,可混溶于醇、醚、烃类。

别名和识别编码

Chemical NameCyclohexyl Acetate
Synonym Acetic acid cyclohexyl ester Acetic acid, cyclohexyl ester CYCLOHEXYL ACETATE Cyclohexanol acetate Cyclohexanol, acetate Cyclohexanolazetat Cyclohexyl ester of acetic acid Cyclohexyl ethanoate Cyclohexylacetat Cyclohexylester kyseliny octove Ethanoicacidcyclohexylester acetatedecyclohexyle adronolacetate cyclohexanylacetate cyclohexyl acetate cyclohexylesterkyselinyoctove 乙酸环己酯 乙酸环已酯 环己基乙酸酯
MDL NumberMFCD00003850
CAS Number622-45-7
PubChem Substance ID87561731
EC Number210-736-6
Chemical Name Translation乙酸环己酯
Reaxys-RN1906543
Beilstein Registry Number1906543
Wiswesser Line NotationL6TJ AOV1
LabNetwork Molecule IDLN00224139
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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料
  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} A-D, Alphabetical Listings, C-D, Certified Food Grade Products, F&F Ingredients in Drum Quantities (25-200 kg), Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SNA} A - D, A-D, Alphabetical Listings, C-D, Certified Food Grade Products, Flavors and Fragrances, Follows IFRA Guidelines, Halal Certified Products, Kosher Certified Products
  • {SNA} A - D, A-D, Alphabetical Listings, C-D, Certified Food Grade Products, F&F Ingredients in Drum Quantities (25-200 kg),

相关文献及参考

  • 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
  • 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.
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安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSAG5075000
Signal word Warning
Hazard Codes 3
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;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
Risk Statements
  • R38 Irritating to skin 刺激皮肤
UN Number 2243
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+P313
  • P332+P313
  • P337+P313
  • 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
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Packing GroupIII
Hazard Class3
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6730 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   28,313,1974

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AHYGAJ Archiv fuer Hygiene.  (Munich, Fed. Rep. Ger.)  V.1-100, 1883-1928.
   For publisher information, see ZHPMAT.  Volume(issue)/page/year: 78,260,1913

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 10 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   28,313,1974

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Human
DOSE/DURATION           : 3000 mg/m3/45M
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - conjunctive irritation
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   AHYGAJ Archiv fuer Hygiene.  (Munich, Fed. Rep. Ger.)  V.1-100, 1883-1928.
   For publisher information, see ZHPMAT.  Volume(issue)/page/year: 78,260,1913

其他信息

  • 乙酸环己酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0028 乙酸环己酯 Cyclohexyl Acetate 25ML 189元 2014/06/02 A0028 乙酸环己酯 Cyclohexyl Acetate 500ML 425元 2010/06/21 390501000 乙酸环己酯 Cyclohexyl acetate 99% 100 ML 305元
  • 急性毒性:口服- 大鼠 LD50: 6730 微升/ 公斤
  • 灭火剂:泡沫、干粉、二氧化碳、砂土
  • 爆炸物危险特性:与空气混合可爆
  • 毒性:LD 50 6730 mg/kg(大鼠,经口)。
  • Sigma Aldrich:622-45-7(sigmaaldrich)
  • 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) 乙酸环己酯 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
  • MSDS 信息:乙酸环己酯(622-45-7).msds
  • 用途一:香料。主要用于配制苹果、香蕉、黑穗状醋栗、树莓等型香精。
  • 方法一:由环己醇与冰醋酸或醋酐按常法脱水酯化而成。
  • 含量分析:按酯测定法(OT-18)中方法一测定。所取试样量为1g。计算中的当量因子(e)取71.10。 宜按GT-10-4中非极性柱方法测定。
  • 刺激数据:皮肤- 兔子 500 毫克/24小时 中度; 眼- 兔子 500 毫克/ 24小时 轻度
  • 类别:可燃物品
  • 外观性质:浅黄色液体, 具水果香味。
  • 参考质量标准:日本标准,1999 FCC,96 含量 ≥98.0% ≥98.0% 折射率n D 20 1.439~1.442 1.436~1.44l 相对密度d 25 25 0.969~0.972 0.966~0.970 重金属(以Pb计,GT-16) ≤0.001% - 酸值(OT-4) ≤1 ≤1.0 在醇中溶解度(OT-43) 2ml溶于70%(V/V)乙醇4ml中,透明 -
  • MOL 文件:622-45-7.mol
  • 鉴别试验:在试样1m1中,加10%氢氧化钾乙醇溶液5ml,装上回流冷凝器,在水浴中加热1h,原有特殊香气消失。冷却后,加稀盐酸试液(TS-117)1ml及水8ml,该液体呈醋酸盐反应(IT-1)。 取试样0.2g,放入蒸发器中,加硝酸1m1,在水浴中加热20min,再于砂浴上蒸干,但勿使之炭化。冷却后加水4ml及氢氧化钠试液(TS-224)0.5ml,使之溶解,再用稀硝酸试液(TS-158)调成弱酸性后,移入试管,加硝酸银试液(TS-210)lml,则产生白色沉淀。再加稀硝酸调为强酸性时,沉淀溶解。
  • 可燃性危险特性:遇明火、高温、强氧化剂可燃; 燃烧产生刺激烟雾
  • 毒性分级:高毒
  • 图谱信息:乙酸环己酯(622-45-7)质谱(MS) 乙酸环己酯(622-45-7)红外图谱(IR1) 乙酸环己酯(622-45-7)核磁图( 1 HNMR) 乙酸环己酯(622-45-7)核磁图( 13 CNMR) 乙酸环己酯(622-45-7)Raman光谱
  • FEMA:2349
  • 上游原料:环己醇
  • 储运特性:包装完整、轻装轻卸; 库房通风、远离明火、高温、与氧化剂分开存放
  • 使用限量:FEMA(mg/kg):软饮料20;冷饮15;糖果100;焙烤食品110。 适度为限(FDA§172.515,2000)。
  • Acros Organics:Cyclohexyl acetate, 99%(622-45-7)
  • TCI Shanghai:乙酸环己酯 Cyclohexyl Acetate,>;99.0%(GC)(622-45-7)

系列性分类


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