Heptyl Acetate 乙酸庚酯

CAS 112-06-1 MFCD00027311

化学结构图

112-06-1
SMILES: CCCCCCCOC(C)=O

化学属性

Mol. FormulaC9H18O2
Mol. Weight158
Refractive index1.4120 to 1.4150
Vapor Density5.5 (vs air)
Boiling Point192-193
Vapor Pressure12 mmHg ( 73 °C)
Density0.886
Melting Point-50
Flash Point69°C(lit.)
Solubility不溶于水,溶于乙醇、乙醚。

别名和识别编码

Chemical NameHeptyl Acetate
MDL NumberMFCD00027311
CAS Number112-06-1
Synonym 1-Heptyl acetate 1-heptyl acetate 1-heptylacetate ACETIC ACID HEPTYL ESTER ACETIC ACID N-HEPTYL ESTER Acetate C-7 Acetic acid heptyl ester Acetic acid n-heptyl eater Acetic acid, heptyl ester Essigsäure-n-heptylester FEMA 2547 HEPTANYL ACETATE HEPTYL ACETATE 98+% HEPTYL ACETATE WITH GC HEPTYL ACETATE(SG) Heptanyl acetate Heptanylacetat Heptyl acetate N-HEPTYL ACETATE acetatec-7 acetic acid heptyl ester heptyl heptylethanoate n-Heptyl acetate n-Heptyl ethanoate n-Heptylacetat {} {} {uni_hamburg} 乙酸-1-乙基戊酯 乙酸庚酯 乙酸正庚酯 醋酸庚酯 醋酸正庚酯
PubChem Substance ID8159
EC Number203-932-8
Reaxys-RN1752297
Beilstein Registry Number1752297
Chemical Name Translation乙酸庚酯
Wiswesser Line Notation7OV1
LabNetwork Molecule IDLN00226708
InChIInChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
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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, E - H, E-H, Flavors and Fragrances, Follows IFRA Guidelines, G-H, H-J, Halal Certified Products, Kosher Certified Products
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, E - H, E-H, Flavors and Fragrances, G-H, H-J, Halal Certified Products, Kosher Certified Products
  • {SNA} Alphabetical Listings,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E - H, E-H, Flavors and Fragrances,

相关文献及参考

  • Short: II/5 Title: Molecular Acoustics Author: Schaaffs, W. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/5 Year: 1967 ISBN: 3-540-03897-3 ISBN: 978-3-540-03897-9 Internet Resource: DOI:10.1007/b19950 RefComment: 321 figs., XII, 286 pages, Hardcover
  • 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/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/18A Title: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures: Pure Organometallic and Organononmetallic Liquids, Binary Liquid Mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/18A Year: 2001 Keyword: organic compounds; viscosity; liquids; mixtures ISBN: 3-540-64584-5 ISBN: 978-3-540-64584-9 Internet Resource: DOI:10.1007/b68239 RefComment: VII, 409 pages.
  • Short: IV/18B Title: Viscosity of Pure Organic Liquids and Binar

安全信息

WGK Germany2
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
RTECSAH9901000
Signal word Warning
Hazard statements
  • H227 Combustible liquid 可燃液体
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。
  • 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。
  • P332+P313
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Packing GroupIII
GHS Symbol
Safety Statements
  • S15 Keep away from heat 远离热源;
Risk Statements
  • R38 Irritating to skin 刺激皮肤
UN Number
Hazard Codes
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 :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 12,813,1974

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 :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 12,813,1974

其他信息

  • 使用限量:FEMA(mg/kg):软饮料4.1;冷饮3.3;糖果4.9;焙烤食品4.8。 适度为限(FDA§172.515,2000)。
  • 灭火剂:泡沫、二氧化碳、雾状水
  • 用途二:用于日用香精和食用香精。
  • 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) 乙酸庚酯 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
  • 毒性分级:低毒
  • 蒸气压:12 mm Hg ( 73 °C)
  • 外观性质:无色、略带花香气味的液体。
  • 参考质量标准:FAO/WHO,1997 含量 ≥97.5% 酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.411~1.417 相对密度(d 25 25 ) 0.87505
  • MOL 文件:112-06-1.mol
  • Sigma Aldrich:112-06-1(sigmaaldrich)
  • 类别:可燃物品
  • 毒性:GRAS(FEMA)。
  • 乙酸庚酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0904 乙酸庚酯 Heptyl Acetate 500ML 928元 2014/06/02 A0904 乙酸庚酯 Heptyl Acetate 25ML 124元
  • MSDS 信息:乙酸-1-乙基戊酯(112-06-1).msds
  • FEMA:2547
  • 蒸气密度:5.5 (vs air)
  • 用途一:GB 2760一96规定为允许使用的食用香料。主要用于配制杏、椰子、梨和菠萝等型香精。
  • 图谱信息:乙酸庚酯(112-06-1)红外图谱(IR1) 乙酸庚酯(112-06-1)质谱(MS) 乙酸庚酯(112-06-1)核磁图( 1 HNMR) 乙酸庚酯(112-06-1)Raman光谱 乙酸庚酯(112-06-1)核磁图( 13 CNMR)
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 轻度
  • 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
  • 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
  • TCI Shanghai:乙酸庚酯 Heptyl Acetate,>;99.0%(GC)(112-06-1)
  • 方法一:由正庚醇和乙酰氯在乙醚溶液中,以镁粉为催化剂,反应而得。
  • 急性毒性:口服- 大鼠 LD50: >; 5000 毫克/ 公斤

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