2-Hydroxybenzoic Acid Ethyl Ester 水杨酸乙酯

CAS 118-61-6 MFCD00002215

化学结构图

118-61-6
SMILES: CCOC(=O)C1CCCCC1O

化学属性

Mol. FormulaC9H10O3
Mol. Weight166.17
Density1.131
Refractive index1.5200 to 1.5240
Flash Point107°C
TSCAYes
Boiling Point234°C at 760 mmHg
Melting Point1°C
Vapor Pressure0.05 mmHg ( 25 °C)
SolubilitySlightly soluble in water. Miscible with alcohol, ether
Stability对光线敏感
Appearance 水杨酸乙酯(118-61-6)为无色液体。熔点2-3℃，沸点234℃，132.8℃（4.93kPa），相对密度1.1326（20/4℃），折光率1.5296。闪点107℃。易溶于乙醇、乙醚，不溶于水。见光或久置空气中逐渐变为黄棕色。
pH:A

别名和识别编码

Chemical Name2-Hydroxybenzoic Acid Ethyl Ester
Synonym Ethyl salicylate {LY} Ethyl salicylate {} {LY} Ethyl salicylate {} {} {LY} Ethyl salicylate {} {} {} {LY} Ethyl salicylate {} {} {} {} {LY} Ethyl salicylate {} {} {} {} {} {LY} Ethyl salicylate {} {} {} {} {} {} {LY} Ethyl salicylate {} {} {} {} {} {} {} {LY} Ethyl salicylate {} {} {} {} {} {} {} {} {LY} Ethyl salicylate {} {} {} {} {} {} {} {} {} {LY} Ethyl salicylate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl salicylate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00002215
CAS Number118-61-6
EC Number204-265-5
Merck Number3850
Beilstein Registry Number907659
PubChem Substance ID8365
Reaxys-RN907659
Chemical Name Translation水杨酸乙酯
Wiswesser Line NotationQR BVO2
LabNetwork Molecule IDLN00221883
InChIInChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
Canonical SMILESO=C(OCC)C1=CC=CC=C1O
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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} Building Blocks, C8 to C9,
  • {SNA}
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E - H, E-F, E-G, E-H, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; alcohol; 1fragment
  • {SNA} Alphabetical Listings,

产品应用

  • 溶剂，有机合成，制造人造香料。

相关文献及参考

  • Short: II/27B
  • Short: III/35E
  • Merck: 14,3850
  • Merck: 14,3850 Beilstein:10,73

安全信息

RTECSVO3000000
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R52/53
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
GHS Symbol
WGK Germany1
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • 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。
  • 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。
  • P301+P312
  • P301+P312+P330
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P330 Rinse mouth. 漱口
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard Codes Xn Xn,Xi Xi
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AJPHAP American Journal of Physiology.  (American Physiological Soc., 9650
   Rockville Pike, Bethesda, MD 20814)  V.1-    1898- Volume(issue)/page/year:
   13,331,1905

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1320 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: 16,751,1978

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 1400 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: 16,751,1978

其他信息

  • 用途六:溶剂，有机合成，制造人造香料。
  • 海关编码:29182390
  • 蒸气压:0.05 mm Hg ( 25 °C)
  • 毒性分级:中毒
  • 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） 水杨酸乙酯 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
  • Sigma Aldrich:118-61-6(sigmaaldrich)
  • 上游原料:乙醇 --> 硫酸铝 --> 水杨酸 --> 酸乙醇 --> 对甲苯磺酸乙酯
  • MSDS 信息:Ethyl 2-hydroxybenzoate(118-61-6).msds
  • 灭火剂:泡沫、干粉、二氧化碳、砂土
  • 毒性:ADI 0.5mg/kg(CE)。 LD50 1320mg/kg(大鼠，经口)。
  • 用途一:用作硝基纤维素的溶剂，也用于香料及有机合成
  • 可燃性危险特性:遇明火、高温、强氧化剂可燃; 燃烧排放刺激烟雾
  • 用途四:GB 2760—96规定为暂时允许使用的食用香料。主要用于调制人造桂皮油和黑莓、黑醋栗及草莓等浆果型香精。
  • 参考质量标准:FCC，1997 含量 ≥99.0% 折射率(n D 20 ) 1.520～1.525 相对密度(d
  • {Chemicalb
  • 使用限量:FEMA(mg/kg)：软饮料2.8；冷饮11；糖果10；焙烤食品16；布丁类0.04；胶姆糖16。 适度为限(FDA§172．515，2000)。
  • 参考质量标准:FCC，1997 含量 ≥99.0% 折射率(n D 20 )
  • 类别:易燃液体
  • 水杨酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 S0011 水杨酸乙酯 Ethyl Salicylate 25ML 117元 2014/06/02 S0011 水杨酸乙酯 Ethyl Salicylate 500ML 403元 2010/06/21 150490010 水杨酸乙酯 Ethyl salicylate 99+% 1 KG 863元
  • 用途五:用于有机合成或配制香料，也用作溶剂。
  • 微有水杨酸甲酯气味，有强折光性。久置空气及光线下能变成黄棕色。能与乙醇和乙醚混溶，微溶于水。低毒，半数致死量(大鼠，经口)1320mg/kg。有刺激性。
  • Alfa Aesar:水杨酸乙酯,99% Ethyl salicylate, 99%(118-61-6)
  • 方法二:由邻羟基苯甲酸（即水杨酸）与乙醇酯化而得。
  • 含量分析:按酯测定法(OT-18)中的方法一进行。所取试样量为1g。回流时间为2h，指示剂改用酚红试液(T
  • FEMA:2458
  • 图谱信息:水杨酸乙酯(118-61-6)质谱(MS) 水杨酸乙酯(118-61-6)核磁图( 13 CNMR) 水杨酸乙酯(118-61-6)核磁图( 1 HNMR) 水杨酸乙酯(118-61-6
  • 方法一:由水杨酸、乙醇和浓硫酸在硫酸铝存在下于100℃下酯化而成。 由水杨酸和对甲苯磺酸乙酯的碱溶液加热至沸而成。
  • 用途三:可用入金合欢、刺槐、依兰、铃兰及其他甜花香型。可少量用于香皂香精中，如在香薇型中作增甜剂。在牙膏和口腔用品中可代替或修饰其甲酯香气与香味。国外也用于食用香精，如欧黑莓、黑茶藨子、圆醋栗、悬钩子、草莓及其他果香和沙士型等香精中。
  • 急性毒性:口服- 大鼠 LD50: 1320 毫克/ 公斤
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 中度
  • Acros Organics:水杨酸乙酯 Ethyl salicylate, 99+%(118-61-6)

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. E-H - Kosher Certified Products
  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. C8 to C9 - Esters
  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
  6. C6 to C7

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