4-Methylbenzene-1,2-diol 3,4-二羟基甲苯

CAS 452-86-8 MFCD00002205

化学结构图

452-86-8
SMILES: Cc1ccc(O)c(O)c1

化学属性

Mol. FormulaC7H8O2
Mol. Weight124.14
Boiling Point247.7°C at 760 mmHg
Density1.129
Melting Point67-69°C
Flash Point140°C
TSCANo
Solubility溶于水，和丙酮、乙醇、乙醚和甲苯混溶，中度溶于石油醚。微溶于四氯化碳。
Appearance 类白色至白色结晶粉末。
Stability对光及空气敏感

别名和识别编码

Chemical Name4-Methylbenzene-1,2-diol
Synonym 4-Methylcatechol {LY} 4-Methylcatechol {} {LY} 4-Methylcatechol {} {} {LY} 4-Methylcatechol {} {} {} {LY} 4-Methylcatechol {} {} {} {} {LY} 4-Methylcatechol {} {} {} {} {} {LY} 4-Methylcatechol {} {} {} {} {} {} {LY} 4-Methylcatechol {} {} {} {} {} {} {} {LY} 4-Methylcatechol {} {} {} {} {} {} {} {} {LY} 4-Methylcatechol {} {} {} {} {} {} {} {} {} {LY} 4-Methylcatechol {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylcatechol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylcatechol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylcatechol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylcatechol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylcatechol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylcatechol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylcatechol {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number452-86-8
PubChem Substance ID87572472
EC Number207-214-5
Beilstein Registry Number636512
MDL NumberMFCD00002205
Reaxys-RN636512
Chemical Name Translation3,4-二羟基甲苯
Wiswesser Line NotationQR BQ D1
LabNetwork Molecule IDLN00195887
InChIInChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
Canonical SMILESOC1=CC=C(C)C=C1O
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分类

  • Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols

产品应用

  • 用于光敏材料杀菌防霉，制造苹果型香料。

相关文献及参考

  • Beilstein:6(4)5878
  • Short: EINECS
  • Short: III/38B
  • Short: IV/20B
  • [1]. Okuta A, et al. Construction of chimeric catechol 2,3-dioxygenase exhibiting improved activity against the suicide inhibitor 4-methylcatechol. Appl Environ Microbiol. 2004 Mar;70(3):1804-10.

安全信息

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
  • H302+H312+H332
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
RTECSUX1915000
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。
  • 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。
  • P301+P312+P330
  • P302+P352+P312+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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 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；
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
Packing GroupIII
Hazard Class6.1(b)
UN Number 2811
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 900 mg/kg/51W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   49,5143,1989

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 300 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 135,109,1984

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 10 mg/L
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   14,251,1981

其他信息

  • 上游原料:天然4-甲基愈创木酚
  • 溶于水，和丙酮、乙醇、乙醚和甲苯混溶，中度溶于石油醚。微溶于四氯化碳。
  • Acros Organics:4-甲基邻苯二酚 4-Methylcatechol, 95%(452-86-8)
  • TCI Shanghai:4-甲基邻苯二酚 4-Methylcatechol,>;98.0%(GC)(452-86-8)
  • 下游产品:2-甲氧基-4-甲基苯酚
  • 3,4-二羟基甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0413 4-甲基邻苯二酚 4-Methylcatechol 25G 312元 2014/06/02 M0413 4-甲基邻苯二酚 4-Methylcatechol 500G 2660元 2010/06/21 126511000 3,4-二羟基甲苯 4-Methylcatechol 98% 100 GR 598元
  • Sigma Aldrich:452-86-8(sigmaaldrich)
  • 方法一:以天然4-甲基愈创木酚为原料经氧化制取。
  • 图谱信息:3,4-二羟基甲苯(452-86-8)核磁图( 1 HNMR) 3,4-二羟基甲苯(452-86-8)核磁图( 13 CNMR) 3,4-二羟基甲苯(452-86-8)质谱(MS) 3,4-二羟基甲苯(452-86-8)红外图谱(IR1) 3,4-二羟基甲苯(452-86-8)红外图谱(IR2)
  • Alfa Aesar:4-甲基儿茶酚,96% 4-Methylcatechol, 96%(452-86-8)
  • 用途二:用于光敏材料杀菌防霉，制造苹果型香料。
  • 用途一:作为中间体，用于抗菌剂、抗氧化剂的合成，并可用作高效阻聚剂
  • MOL 文件:452-86-8.mol

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Solvents 溶剂
  3. Solvent by Type - Solvents
  4. Dimethyl Sulfoxide (DMSO) - Solvent by Type
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Protected Alcohols/Phenols - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Polyols - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols
  1. Functional Group 官能团索引
  2. 1,2-diphenol
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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