Methyl 2-hydroxybenzoate 2-羟基苯甲酸甲酯

CAS 119-36-8 MFCD00002214

化学结构图

119-36-8
SMILES: COC(=O)C1CCCCC1O

化学属性

Mol. FormulaC8H8O3
Mol. Weight152.15
Refractive index1.5350 to 1.5380
Density1.174
Flash Point107.78°C
TSCAYes
Boiling Point222 °C at 760 mmHg
Melting Point-8 °C
Autoignition Point847 °F
Vapor Density5.26 (vs air)
Vapor Pressure1 mmHg ( 54 °C)
Solubility0.07 G/100 ML (20 ºC)
Stability对湿度敏感
pH:A

别名和识别编码

Chemical NameMethyl 2-hydroxybenzoate
MDL NumberMFCD00002214
CAS Number119-36-8
Reaxys-RN971516
Merck Number6120
Beilstein Registry Number971516
PubChem Substance ID87575646
Synonym Methyl Salicylate {LY} Methyl Salicylate {} {LY} Methyl Salicylate {} {} {LY} Methyl Salicylate {} {} {} {LY} Methyl Salicylate {} {} {} {} {LY} Methyl Salicylate {} {} {} {} {} {LY} Methyl Salicylate {} {} {} {} {} {} {LY} Methyl Salicylate {} {} {} {} {} {} {} {LY} Methyl Salicylate {} {} {} {} {} {} {} {} {LY} Methyl Salicylate {} {} {} {} {} {} {} {} {} {LY} Methyl Salicylate {} {} {} {} {} {} {} {} {} {} {LY} Methyl Salicylate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl Salicylate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl Salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl Salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl Salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl Salicylate {} {} {} {} {} {
EC Number204-317-7
Chemical Name Translation2-羟基苯甲酸甲酯
InChIKeyOSWPMRLSEDHDFF-UHFFFAOYSA-N
Wiswesser Line NotationQR BVO1
LabNetwork Molecule IDLN00198602
Canonical SMILESO=C(OC)C1=CC=CC=C1O
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {SNA} All Alphabetically Sorted, Alpha Sort, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Aromatic Compounds, Aromatics, Chemical Class, Chromatography, Environmental Standards, Ester, Esters, Fl

产品应用

  • 溶剂,刺激药。局部用于关节或肌肉疼痛。香料和防晒液中紫外线吸收剂。

相关文献及参考

  • Merck: 14,6120
  • Merck: 14,6120 Beilstein:10,70

安全信息

RTECSVO4725000
Signal word Warning
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+P330
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+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.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • 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
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Packing GroupIII
Hazard Class6.1(b)
UN Number 3082
{hazard_c

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 522 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85DCAI "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M.,
   Springfield, IL, C.C. Thomas, 1970  Volume(issue)/page/year: 2,73,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1110 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 132,207,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 2100 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - other changes
   Gastrointestinal - hypermotility, diarrhea
   Gastrointestinal - nausea or vomiting
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 16,821,1978

TYPE OF TEST            : LDLo - Lowest published letha

TYPE OF TEST

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 :
   FAONAU FAO Nutrition Meetings Report Series.  (Rome, Italy)  No.?-57,
   1948-77.  Discontinued.  Volume(issue)/page/year: 44A,63,1967

{hazard

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/disc
REFERENCE :
   JNUDAT Journal of Nihon University School of Dentistry.  (Nihon University
   School of Dentistry, 1-8-13 Surugadai, Kanda, Chiyoda-ku, Tokyo, 101, Japan)
    V.1-    1958-  Volume(issue)/page/year: 34,183,1992

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - ra

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 400 mg/kg
SEX/DURATION            : female 12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   11,381,1988

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - hamster
DOSE                    : 5250 mg/kg
SEX/DURATION            : female 7 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - Central Nervous System
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 28,421,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 36450 mg/kg
SEX/DURATION            : multigenerations
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - live birth index (measured after birth)
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
   Reproductive - Effects on Newborn - weaning or lactation index (e.g., #
   alive at weaning per # alive at day 4)
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume

其他信息

  • 所属类别二:食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • Acros Organics:水杨酸甲酯 Methyl salicylate, 98%(119-36-8)
  • 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
  • Sigma Aldrich:119-36-8(sigmaaldrich)
  • 用途三:印染工业用作高温热载体。
  • 毒性分级:中毒
  • 方法一:将水杨酸计量后加入反应釜中,加入过量的甲醇搅拌下再加入催化剂量的硫酸。加热,于90~100 ℃下反应3 h。分取油层,移入中和釜,加Na 2 CO 3 水溶液中和至pH值8.0~9.0。用水洗至中性。分出水层,油层移入蒸馏釜,先常压蒸出甲醇和残留的水,再减压蒸馏收集95~100 ℃,10.96 kPa下的馏分。收率82%。
  • 用途六:该品有限强的类似鹿蹄草的气味,用作香料时,常作为医药制剂中腔药与涂剂等的赋香剂,在一般香精中,例如檞树等香料的调合中也有应用,其他如口香糖、漱口水等口中含用药物也有应用。水杨酸甲酯也用作溶剂和中间体,用于制造杀虫剂、杀菌剂、香料、涂料、化妆品油墨及纤维助染剂等。水杨酸甲酯与氨水反应生成水杨酰胺,用于解热止痛药乙基水杨胺的生产,水杨酰胺本身也是一种解热镇痛药。水杨酸甲酯经乙酰化可得乙酰水杨酸甲酯(C10H10O4,[580-02-9])。将水杨酸甲酯和乙酐投入反应锅,搅拌下加入硫酸,反应温度不超过60℃,约1h,反应毕,将反应物倒入冰水中析出结晶,过滤、水洗、
  • 香精香料:水杨酸甲酯 又称邻羟基苯甲酸甲酯、冬青油、桦木油、甜桦油、柳酸甲酯、茶籽油。天然品存在于鹿蹄草油、冬青油、桦木油、绿茶籽油、丁香油、檞树油、晚香玉油、小当药油、茶油、依兰依兰油等精油中及樱桃、苹果、草莓的果汁中。无色或浅黄色、或浅黄红色透明油状液体。有强烈的冬青油香气。相对分子质量152.16。相对密度1.1738。熔点-8.6℃。沸点223.3℃。闪点96℃。折射率1.5360。不溶于水,溶于乙醇、乙醚、冰醋酸等通用有机溶剂中。露置空气中易变色。大鼠经口LD50887mg/kg。 由水杨酸与甲醇在硫酸存在下共热而制得。或由石南科植物冬青叶蒸馏而制得。 水杨酸甲酯可用于日化香精配方中,主要用以调配依兰依兰、晚香玉、素心兰、金合欢、馥奇、素馨兰等香型香精。但其最为普遍的用途是用于牙膏的加香。IFRA没有限制规定。 水杨酸甲酯被FEMA认定为GRAS,FEMA编号2745,欧洲理事会将水杨酸甲酯列入可用于食品中而不危害人体健康的人造食用香料表中,其最高用量为8400mg/kg,ADI值为0.5mg/kg。 水杨酸甲酯可用于食用香精配方中,是我国GB2760—1996规定暂时允许使用的食用香料,ADI值0~0.5,常用于调配草莓、香荚兰、葡萄等果香型香精用于食品及啤酒中,还可用于果糖、软饮料等的加香。此外水杨酸甲酯还用于防腐剂、杀虫剂、擦光剂、油墨、油漆、聚酯纤维染色载体等工业领域方面。
  • FEMA:2745
  • 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) 水杨酸甲酯 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 冬青油 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
  • 用途五:GB 2760一1996规定为暂时允许使用的食用香料。主要用以配
  • 急性毒性:口服- 大鼠 LD50: 887 毫克/ 公斤; 口服- 小鼠 LD50: 1110 毫克/ 公斤
  • TCI Shanghai:水杨酸甲酯 Methyl Salicylate,>;99.0%(GC)(119-36-8)
  • {Chemica
  • 使用限量:FEMA(mg/kg):软
  • MS
  • MSDS 信息:水杨酸甲酯(119-36-8).msds
  • 图谱信息:水杨酸甲酯(119-36-8)质谱(MS) 水杨酸甲酯(119-36-8)红外图

系列性分类