3-Hydroxy-4-methoxybenzaldehyde 3-羟基-4-甲氧基苯甲醛

CAS 621-59-0 MFCD00003369

化学结构图

621-59-0
SMILES: COc1ccc(C=O)cc1O

化学属性

Mol. FormulaC8H8O3
Mol. Weight152.15
Boiling Point308.1°C at 760 mmHg
Melting Point119.9°C
Density1.231
Flash Point>110°(230°F)
TSCAYes
Appearance crystalline 淡黄色结晶粉末。熔点113-115℃。

别名和识别编码

Chemical Name3-Hydroxy-4-methoxybenzaldehyde
CAS Number621-59-0
Alfabeta NameHYDROXYMETHOXYBENZALDEHYDE 34---
MDL NumberMFCD00003369
Synonym 2-Methoxy-5-formylphenol 5-Formyl-2-methoxyphenol 3-羟基-4-甲氧基苯甲醛(异香兰素) TIMTEC-BB SBB008245 4-Methoxy-3-hydroxybenzaldehyde 3-Hydroxy-4-methoxy-benzaldehyde {Chemica Isovanilline 3-hydroxy-4-m 3-Hydroxy-p-anisaldehyde {Chemi 3-Hydroxyanisaldehyde 4-METHOXY-3-HYDROXYBENZALDEHYDE isovanilin 3-羟基大茴香醛 异香兰醛 3-hydroxy-p-anisaldehyd 异香草醛 3-HYDROXY-P-ANISALDEHYDE 3-Hydroxy-4-methoxybenzaldehyd 3-羟基-4-甲氧基苯甲醛 ISOVANILIN 3-Hydroxy-para-anisaldehyde Isovanillin, 3-Hydroxy-p-anisaldehyde 3-羟基-4-甲氧基苯甲醛 3-羟基茴香醛 Isovanillicaldehyde 3-Hydroxy-4-methoxybenzaldehyde 3-HYDROXY-4-METHOXYBENZALDEHYDE 3-HYDROXY-4-ANISALDEHYDE 3-Hydroxy-p-anisaldehyde 3-羥大茴香醛 AKOS BBS-00003278 3-羟基-4-甲氧基苯甲醛(异香草醛) 3-羟基-4-甲氧基苯甲醛, 98+% NSC 82996 5-Formylguaiacol Oxy-3 methoxy-4 benzaldehyde Isovanillin 异香兰醛 p-Anisaldehyde, 3-hydroxy- 原儿茶醛-4-甲醚 3-hydroxy-4-methoxy
PubChem Substance ID87570690
EC Number210-694-9
Beilstein Registry Number1073021
Reaxys-RN1073021
Chemical Name Translation3-羟基-4-甲氧基苯甲醛
Wiswesser Line NotationVHR CQ DO1
LabNetwork Molecule IDLN00009051
InChIInChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
Canonical SMILESO=CC1=CC=C(OC)C(O)=C1
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分类

  • {SNA} Aldehydes,
  • {SA} Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SNA}
  • {SNA} Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis,
  • {SNA} Aldehydes, Analytical Reagents, Analytical/Chromatography, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Mass Spectrometry, Mass Spectrometry (MS), Matrices for MALDI Analysis, Matrix Substances for MALDI-MS, Molecular Biology, Organic Building Blocks, Proteomics, Spectroscopy

产品应用

  • 3-Hydroxy-4-methoxybenzal现代建筑开始被用作试剂的两步立体选择合成抗癌药物(Z)-combretastatin A-41 glycitein合成,药物合成。

相关文献及参考

  • Beilstein: 8,IV,1764
  • Short: III/35D2
  • Short: III/35E

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
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
RTECSCU6540000
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。
  • 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+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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
Signal word Warning
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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
  • 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
Storage condition 2-8°C, protect from light, stored under nitrogen {LY} 2-8°C, protect from light, stored under nitrogen Air & Light Sensitive {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1276 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences.
   (Paris, France)  V.1-261, 1835-1965.  For publisher information, see CRASEV.
    Volume(issue)/page/year: 243,609,1956

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 1470 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APFRAD Annales Pharmaceutiques Francaises.  (SPPIF, B.P.22, F-41353 Vineuil,
   France)  V.1-    1943-  Volume(issue)/page/year: 14,456,1956

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 1500 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 206,17,1988

其他信息

  • MOL 文件:621-59-0.mol
  • 海关编码:29124900
  • Acros Organics:3-羟基-4-甲氧基苯甲醛 3-Hydroxy-4-methoxybenzaldehyde, 98%(621-59-0)
  • MSDS 信息:Isovanillin(621-59-0).msds
  • 3-羟基-4-甲氧基苯甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 LA1286602 Alfa-A12866 25g 432元 2011/04/16 I0519 异香兰素 Isovanillin 25G 515元 2011/04/16 I0519 异香兰素 Isovanillin 500G 4460元
  • 敏感性:Air Sensitive
  • 下游产品:2-氯-3,4-二甲氧基苯甲醛 --> 3-环戊氧-4-甲氧基苯甲醛 --> 1,7-双(4-羟基-3-甲氧基苯基)庚烷-3,5-二酮 --> (Z)-3,4,5,4',-四甲氧基-3'-羟基二苯乙烯 --> 异莨菪亭 --> 4-甲氧基多巴胺盐酸盐 --> 非诺多泮
  • TCI Shanghai:异香草醛 Isovanillin,>;98.0%(T)(621-59-0)
  • 用途一:用于香料及医药中间体
  • Hazard Note:Irritant
  • 上游原料:硫酸二甲酯 --> 香兰素
  • color:faintly brown
  • Sigma Aldrich:621-59-0(sigmaaldrich)
  • 图谱信息:3-羟基-4-甲氧基苯甲醛(621-59-0)核磁图( 1 HNMR) 3-羟基-4-甲氧基苯甲醛(621-59-0)质谱(MS) 3-羟基-4-甲氧基苯甲醛(621-59-0)核磁图( 13 CNMR) 3-羟基-4-甲氧基苯甲醛(621-59-0)红外图谱(IR2) 3-羟基-4-甲氧基苯甲醛(621-59-0)红外图谱(IR1)
  • 检测方法:GC,NMR
  • Alfa Aesar:3-羟基-4-甲氧基苯甲醛,98% 3-Hydroxy-4-methoxybenzaldehyde, 98%(621-59-0)

系列性分类


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