Benzyl Salicylate 水杨酸苄酯

CAS 118-58-1 MFCD00020034

化学结构图

118-58-1
SMILES: OC1C=CC=CC=1C(=O)OCC1C=CC=CC=1

化学属性

Mol. FormulaC14H12O3
Mol. Weight228.24
Density1.176
Refractive index1.5800 to 1.5820
Flash Point184°C(lit.)
TSCAYes
Boiling Point168-170 °C at 5 mmHg
Melting Point18-20 °C
Solubility略溶于水
Appearance 稠厚液体。沸点320℃，208℃（3.33kPa），170℃（0.67kPa），相对密度1.1799（20/4℃），折光率1.5805。能与乙醇、乙醚混溶，微溶于水。具弱甜香味。

别名和识别编码

Chemical NameBenzyl Salicylate
Synonym Benzyl salicylate {LY} Benzyl salicylate {} {LY} Benzyl salicylate {} {} {LY} Benzyl salicylate {} {} {} {LY} Benzyl salicylate {} {} {} {} {LY} Benzyl salicylate {} {} {} {} {} {LY} Benzyl salicylate {} {} {} {} {} {} {LY} Benzyl salicylate {} {} {} {} {} {} {} {LY} Benzyl salicylate {} {} {} {} {} {} {} {} {LY} Benzyl salicylate {} {} {} {} {} {} {} {} {} {LY} Benzyl salicylate {} {} {} {} {} {} {} {} {} {} {LY} Benzyl salicylate {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl salicylate {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00020034
CAS Number118-58-1
EC Number204-262-9
Merck Number1144
Beilstein Registry Number2115365
PubChem Substance ID8363
Chemical Name Translation水杨酸苄酯
Reaxys-RN2115365
Wiswesser Line NotationQR BVO1R
LabNetwork Molecule IDLN00193931
InChIInChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
Canonical SMILESO=C(OCC1=CC=CC=C1)C2=CC=CC=C2O
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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
  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SNA} 2009/4
  • {SNA} A-B, A-D, Alphabetical Listings, Certified Food Grade Products,

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/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 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:

安全信息

RTECSVO1750000
Risk Statements
  • R51/53
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
  • 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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
GHS Symbol
WGK Germany2
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • 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
  • H371 May cause damage to organs 可能导致器官损伤
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P309+P311
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P333+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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Hazard Codes Xi,N Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2227 mg/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: 11,1029,1973

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitro

其他信息

  • 毒性分级:中毒
  • 使用限量:FEMA(mg/kg)：软饮料1.4；冷饮0.89；糖果1.8；焙烤食品0.01～2.2。 适度为限(FDA§172．515，2000)。
  • 用途三:作为香料，特别是硝基麝香的溶剂，人造麝香和花香香料的定香剂。杀菌防腐剂。
  • 方法二:由水杨酸与苄醇反应而得。也可由水杨酸钠与氯化苄反应而得。在水杨酸钠和稍过量的氯化苄混合物中，加入少量二乙胺，加热至130-140℃反应17h，冷却后用水洗涤反应物，过量的氯化苄用水蒸气蒸馏除去，对剩余的油状物进行真空蒸馏，收集170-175℃（0.93kPa）馏分。产率85%。
  • Sigma Aldrich:118-58-1(sigmaaldrich)
  • MSDS 信
  • 方法一:由水杨酸与苯乙醇酯化而得。
  • 急性毒性:口服-大鼠 LD50: 2227 毫克/公斤
  • Alfa Aesar:苄基水杨酸酯,99% Benzyl salicylate, 99%(118-58-1)
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 爆炸物危险特性:与氧化剂反应激烈
  • 可燃性危险特性:明火, 受热较易燃; 燃烧产生刺激烟雾
  • 类别:易燃液体
  • 柳酸苄酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 S0009 水杨酸苄酯 Benzyl Salicylate 500G 455元 2014/06/02 S0009 水杨酸苄酯 Benzyl Salicylate 25G 117元 2010/06/21 259600050 柳酸苄酯 Benzyl salicylate 98+% 5 GR 276元
  • FEMA:2151
  • 毒性:GRAS(FEMA)。 LD 50 2227mg/kg(大鼠，经口)。
  • 用途二:GB 2760—1996允许使用的食用香料。主要用于配制杏、桃、香蕉、树莓等型香精。
  • 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） 水杨酸苄酯 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
  • Acros Organics:水杨酸苄酯 Benzyl salicylate, 98+%(118-58-1)
  • 含量分析:按酯含量测定法(OT-18)中方法二测定。试样量取1.4g。改用酚红试液(TS-66)作指示剂。计算中的当量因子(e)取114.1。
  • TCI Shanghai:水杨酸苄酯 Benzyl Salicylate,>;99.0%(GC)(118-58-1)
  • 上游原料:苄基氯 --> 二乙胺 --> 苯乙醇 --> 水杨酸 --> 水杨酸钠
  • 图谱信息:柳酸苄酯(118-58-1)Raman光谱 柳酸苄酯(118-58-1)核磁图( 1 HNMR) 柳酸苄酯(118-58-1)质谱(MS) 柳酸苄酯(118-58-1)核磁图( 13 CNMR) 柳酸苄酯(118-58-1)红外图谱(IR1) 柳酸苄酯(118-58-1)红外图谱(IR2)
  • 参考质量标准:FCC，1996 含量 ≥98.0% 折射率(n D 20 ) 1.573～1.582 相对密度(d 25 25 ) 1.176～1.180 凝固点 ≥23.5℃ 酸值(0T-4) ≤1.0(用酚红试液) 醇中溶解度(0T-43) 1ml溶于5mL 95%乙醇
  • 储运特性:通风低温干燥; 与氧化剂分开存放
  • 用途一:常作为花香型和非花香型香精的助溶剂与好的定香剂使用。适用于香石竹、依兰、茉莉、香罗兰、铃兰、紫丁香、晚香玉、百花型等香精。也可极微量用于杏子、桃子、梅子、香蕉、生梨等食用香精中。
  • MOL 文件:118-58-1.mol

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. A-D - Kosher Certified Products
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. A-B - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C12 to C63 - Esters

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