Methyl Vanillate 3-甲氧基-4-羟基苯甲酸甲酯(香草酸甲酯)

CAS 3943-74-6 MFCD00008438

化学结构图

3943-74-6
SMILES: COC(=O)c1ccc(O)c(OC)c1

化学属性

Mol. FormulaC9H10O4
Mol. Weight182.17
Density1.216
Melting Point64-67°C
TSCAYes
Boiling Point286°C at 760 mmHg
Flash Point285-287°C

别名和识别编码

Chemical NameMethyl Vanillate
Synonym Methyl vanillate {LY} Methyl vanillate {} {LY} Methyl vanillate {} {} {LY} Methyl vanillate {} {} {} {LY} Methyl vanillate {} {} {} {} {} {} {} {} {LY} Methyl vanillate {} {} {} {} {} {LY} Methyl vanillate {} {} {} {} {} {} {LY} Methyl vanillate {} {} {} {} {} {} {} {LY} Methyl vanillate {} {} {} {} {} {} {} {} {LY} Methyl vanillate {} {} {} {} {} {} {} {} {} {LY} Methyl vanillate {} {} {} {} {} {} {} {} {} {} {LY} Methyl vanillate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl vanillate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl vanillate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl vanillate {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl vanillate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl vanillate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number3943-74-6
EC Number223-525-9
Beilstein Registry Number1369113
MDL NumberMFCD00008438
PubChem Substance ID19844
Chemical Name Translation3-甲氧基-4-羟基苯甲酸甲酯(香草酸甲酯)
Reaxys-RN1369113
Wiswesser Line Notation1OVR DQ CO1
LabNetwork Molecule IDLN00224598
InChIInChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
Canonical SMILESO=C(OC)C(C=C1)=CC(OC)=C1O
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分类

  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I - N, I-N, Kosher Certified Products, L-M, M-N
  • {SNA} Alphabetical Listings, Flavors and Fragrances, I-N, Kosher Certified Products, M-N

相关文献及参考

  • Beilstein:10(3)1410
  • Short: EINECS
  • Short: III/35D2
  • [1]. Cha PH, et al. Hovenia dulcis Thunb extract and its ingredient methyl vanillate activate Wnt/β-catenin pathway and increase bone mass in growing or ovariectomized mice. PLoS One. 2014 Jan 22;9(1):e85546.

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
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；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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）。
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSDH2430000
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#06782

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

  • 香草酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw050003 香草酸甲酯;4-羟基-3-甲氧基苯甲酸甲酯 25g 300元 2011/04/16 M1738 香草酸甲酯 Methyl Vanillate 25G 1080元 2011/04/16 M1738 香草酸甲酯 Methyl Vanillate 5G 356元
  • MSDS 信息:Methyl 4-hydroxy-3-methoxybenzoate(3943-74-6).msds
  • Alfa Aesar:香子兰酸甲酯,99% Methyl vanillate, 99%(3943-74-6)
  • MOL 文件:3943-74-6.mol
  • Sigma Aldrich:3943-74-6(sigmaaldrich)
  • Acros Organics:香草酸甲酯 Methyl vanillate, 99%(3943-74-6)
  • TCI Shanghai:香草酸甲酯 Methyl Vanillate,>;98.0%(GC)(3943-74-6)

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - 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. 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 - 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
  1. Medical Research Areas
  2. Metabolism
  3. Reactive Oxygen Species  (活性氧)
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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