Benzoic Acid n-Hexyl Ester 苯甲酸正己酯

CAS 6789-88-4 MFCD00051714

化学结构图

6789-88-4
SMILES: CCCCCCOC(=O)c1ccccc1

化学属性

Mol. FormulaC13H18O2
Mol. Weight206.29
Refractive index1.4920 to 1.4940
Boiling Point272 °C at 760 mmHg
Density0.98
Flash Point148°C(lit.)
TSCAYes

别名和识别编码

Chemical NameBenzoic Acid n-Hexyl Ester
Synonym Hexyl benzoate {LY} Hexyl benzoate {} {LY} Hexyl benzoate {} {} {LY} Hexyl benzoate {} {} {} {LY} Hexyl benzoate {} {} {} {} {LY} Hexyl benzoate {} {} {} {} {} {LY} Hexyl benzoate {} {} {} {} {} {} { {} {} {} {} {} {} {LY} Hexyl benzoate {} {} {} {} {} {} {} {LY} Hexyl benzoate {} {} {} {} {} {} {} {} {LY} Hexyl benzoate {} {} {} {} {} {} {} {} {} {LY} Hexyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl benzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl benzoate {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00051714
CAS Number6789-88-4
PubChem Substance ID23235
EC Number229-856-5
Beilstein Registry Number2048117
Reaxys-RN2048117
Chemical Name Translation苯甲酸正己酯
Wiswesser Line Notation6OVR
LabNetwork Molecule IDLN00224103
InChIInChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
Canonical SMILESO=C(OCCCCCC)C1=CC=CC=C1
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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
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Alphabetical Listings, E-H, Flavors and Fragrances, G-H,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E - H, E-H, Flavors and Fragrances, G-H, H-J, Halal Certified Products, Kosher Certified Products
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E-H, Flavors and Fragrances, G-H, H-J, Halal Certified Products, Kosher Certified Products
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E-H, Flavors and Fragrances, G-H,

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/18B Title: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures: Pure Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/18B Year: 2001 Keyword: organic compounds; viscosity; liquids; mixtures Internet Resource: DOI:10.1007/b68240 RefComment: VII, 409 pages.
  • Short: IV/6 Title: Static Dielectric Constants of Pure Liquids and Binary Liquid Mixtures Author: Wohlfarth, Ch. Editor: Madelung, O. Source: Landolt-Börnstein, New Series Volume: IV/6 Year: 1991 Keyword: organic compounds; dielectric constant; liquids; mixtures ISBN: 3-540-54417-8 ISBN: 978-3-540-54417-3 Internet Resource: DOI:10.1007/b44266 RefComment: VIII, 521 pages.
  • 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
Personal Protective Equipment Eyeshields, Gloves
RTECSDH1490000
Signal word Warning
Risk Statements
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
Precautionary statements
  • 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
  • P305+P351+P338
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • 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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 21 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 12300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

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 at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 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) 苯甲酸己酯 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
  • TCI Shanghai:苯甲酸己酯 Hexyl Benzoate,>;98.0%(GC)(6789-88-4)
  • 图谱信息:苯甲酸己酯(6789-88-4)核磁图( 13 CNMR) 苯甲酸己酯(6789-88-4)核磁图( 1 HNMR) 苯甲酸己酯(6789-88-4)红外图谱(IR1) 苯甲酸己酯(6789-88-4)质谱(MS)
  • 苯甲酸己酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1076 苯甲酸己酯 Hexyl Benzoate 500ML 835元 2014/06/02 B1076 苯甲酸己酯 Hexyl Benzoate 25ML 187元 2010/05/25 L06293 苯甲酸正己酯, 98+% n-Hexyl benzoate, 98+% 25g 253元
  • 参考质量标准:FAO/WHO,2001 含量(GT-10-4) ≥98% 酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.490~1.500 相对密度(d 25 25 )0.978~0.984
  • FEMA:3691
  • 使用限量:FEMA(mg/kg):焙烤制品、软糖,10.0;冷饮、布丁、凝胶、无醇饮料,7.5;含醇饮料,5.0。
  • 外观性质:液体。
  • Alfa Aesar:苯甲酸正己酯,98+% n-Hexyl benzoate, 98+%(6789-88-4)
  • MOL 文件:6789-88-4.mol
  • Sigma Aldrich:6789-88-4(sigmaaldrich)
  • MSDS 信息:苯甲酸正己酯(6789-88-4).msds
  • 毒性:GRAS(FEMA)。

系列性分类


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