2,5-Dimethylphenol 2,5-二甲基苯酚

CAS 95-87-4 MFCD00002237

化学结构图

95-87-4
SMILES: Cc1ccc(C)c(O)c1

化学属性

Mol. FormulaC8H10O
Mol. Weight122.16
Density0.971
Boiling Point212 °C(lit.)
Melting Point75.0 to 77.0 deg-C
Flash Point95°(203°F)
TSCAYes
Solubility1 G/100 ML (60 ºC)
Stability对光敏感

别名和识别编码

Chemical Name2,5-Dimethylphenol
CAS Number95-87-4
Alfabeta NameDIMETHYLPHENOL 25-,
MDL NumberMFCD00002237
EC Number202-461-5
Beilstein Registry Number6,494
Synonym 2,5-Dimethylphenol {LY} 2,5-Dimethylphenol 2,5-Dmp 2,5-XYLENOL 2,5-Xylenol 2,5-Xylenol; 1,2,5-Xylenol; 1,4-Dimethyl-2-hydroxybenzene; 1-Hydroxy-2,5-dimethylbenzene; 3,6-Dimethylphenol; 3,6-Xylenol; 6-Methyl-m-cresol 2,5-diemthyl phenol 2,5-dimethyl-pheno 2,5-dimethyl-phenol 2,5-dimethylphenol 2,5-xylenol 2,5-二甲(苯)酚 2,5-二甲基苯酚 2-羟基-对二甲苯 对二甲苯酚 2,5-二甲基苯酚,2,5-二甲苯酚 {} {LY} 2,5-Dimethylphenol {} {} {LY} 2,5-Dimethylphenol {} {} {} {LY} 2,5-Dimethylphenol {} {} {} {} {LY} 2,5-Dimethylphenol {} {} {} {} {} {LY} 2,5-Dimethylphenol {} {} {} {} {} {} {LY} 2,5-Dimethylphenol {} {} {} {} {} {} {} {LY} 2,5-Dimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID7267
Merck Number10082
Reaxys-RN1099260
Chemical Name Translation2,5-二甲基苯酚
Wiswesser Line NotationQR B1 E1
LabNetwork Molecule IDLN00174935
InChIInChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
Canonical SMILESOC1=CC(C)=CC=C1C
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分类

  • {SNA} A-F, Alcoholic & Nonalcoholic Beverages, All Alphabetically Sorted, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Ch
  • {SA} Alpha sort, Alphabetic, Analytical Standards, Analytical/Chromatography, Chromatography, D, DID - DIN, Environmental Standards, Flavors and Fragrances, Food & Beverage Standards, Nematicides, Nutraceuticals, Pesticides, Pesticides & Metabolites
  • {SNA} Building Blocks, C6 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols

产品应用

  • 有机合成中间体。用作消毒剂、溶剂、药物、增塑剂和润湿剂。
  • 用于ICP-AES、AAS、AFS、ICP-MS、离子色谱等。滴定分析用标准溶液。

相关文献及参考

  • Short: II/27B
  • Beilstein:6,494
  • Short: III/35D2

安全信息

Warnings 危化品目录(2015) IRRITANT
Signal word Danger 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；
  • S36/37/39 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；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R51/53
  • R24/25 Toxic in contact with skin and if swallowed 皮肤接触及吞食都有毒
  • 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
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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+P310
  • P301+P312
  • P301+P316
  • P301+P317
  • P301+P330+P331
  • P301+P330+P331+P310
  • P302+P352
  • P302+P361+P354
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P310
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P316
  • P317
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P333+P313
  • P333+P317
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P361+P364
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H301+H311
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
RTECSZE5775000
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges
Packing GroupII
UN Number UN 2261 6.1/PG 2 UN2261 2261
Hazard Codes T,N T;N
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class6.1 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4000 mg/kg/20W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   19,413,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 730 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
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: 53,227,1935

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 938 mg/kg
TOXIC EFFECTS :
   Behavioral - ataxia
   Behavioral - muscle contraction or spasticity
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   HYSAAV Hygiene and Sanitation (USSR).  English translation of GISAAA.
   (Sp

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 444 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPPAF Gigiena Truda i Professional'naya Patologiya v Estonskoi SSR.  Labor
   Hygiene and Occupational Pathology in the Estonian SSR.  (Institut
   Eksperimental'noi i Klinicheskoi Meditsiny Ministerstva Zdravookhraneniya
   Estonskoi SSR, Tallinn, USSR)  V.8-    1972-  Volume(issue)/page/year:
   8,145,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 938 mg/kg
TOXIC EFFECTS :
   Behavioral - ataxia
   Behavioral - muscle contraction or spasticity
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   HYSAAV Hygiene and Sanitation (USSR).  English translation of GISAAA.
   (Springfield, VA)  1964-71. Discontinued.  Volume(issue)/page/year:
   33(7-9),329,196

Restrict 危险品

其他信息

  • 用途一:用作有机合成中间体，用于染料和降血脂药吉非罗齐的合成
  • Alfa Aesar:2,5-二甲基苯酚,97% 2,5-Dimethylphenol, 97%(95-87-4)
  • 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） 2，5-二甲基苯酚 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
  • 急性毒性:口服-大鼠 LD50: 444 毫克/公斤; 口服-小鼠 LD50: 383 毫克/公斤
  • 类别:有毒物品
  • MSDS 信息:2,5-二甲苯酚(95-87-4).msds
  • 能升华，能随水蒸气挥发。遇三氯化铁无颜色生成。 易溶于乙醚，溶于水和乙醇。中等毒，半数致死量(大鼠，经口)444mg/kg。有腐蚀性。
  • 图谱信息:2,5-二甲基苯酚(95-87-4)质谱(MS) 2,5-二甲基苯酚(95-87-4)红外图谱(IR2) 2,5-二甲基苯酚(95-87-4)核磁图( 13 CNMR) 2,5-二甲基苯酚(95-87-4)红外图谱(IR1)
  • 2,5-二甲基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80139580 2，5-二甲酚;对二甲苯酚; 1-羟基-2,5-二甲苯; 2-羟基对二甲苯 500g 499.4元 2011/04/16 D0775 2,5-二甲基苯酚 2,5-Dimethylphenol 25G 131元 2011/04/16 D0775 2,5-二甲基苯酚 2,5-Dimethylphenol 500G 960元
  • 上游原料:2,5-二甲基苯胺
  • TCI Shanghai:2,5-二甲基苯酚 2,5-Dimethylphenol,>;98.0%(GC)(95-87-4)
  • color:slightly brown
  • 下游产品:吉非罗齐
  • MOL 文件:95-87-4.mol
  • Acros Organics:2,5-二甲基苯酚 2,5-Dimethylphenol, 99+%(95-87-4)
  • 储运特性:库房通风低温干燥; 与氧化剂, 食品原料分开存放。
  • Sigma Aldrich:95-87-4(sigmaaldrich)
  • 能升华，能随水蒸气挥发。遇三氯化铁无颜色生成。 水中溶解度:1% (60°C)，溶于NaOH溶液，易溶于乙醇、氯仿、乙醚和苯。中等毒，半数致死量(大鼠，经口)444mg/kg。有腐蚀性。
  • 用途三:有机合成中间体。用作消毒剂、溶剂、药物、增塑剂和润湿剂。用于ICP-AES、AAS、AFS、ICP-MS、离子色谱等。滴定分析用标准溶液。
  • 可燃性危险特性:遇明火、高热可燃； 燃烧产生刺激烟雾
  • 检测方法:HPLC
  • 用途二:有机合成中间体。用于染料和降血脂药吉非罗齐（gemfibroxil）的合成。
  • 灭火剂:砂土、泡沫、二氧化碳、雾状水
  • 毒性分级:高毒
  • 爆炸物危险特性:对皮肤，角膜有腐蚀性
  • 方法一:以2,5-二甲苯胺为原料，经重氮化、水解制得。
  • 外观性质:白色针状结晶。
  • 海关编码:29071400
  • FEMA:3595

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. Q-Z - 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. 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. Phenols 酚类
  6. C6 to C8 - Phenols
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. D - Alphabetic
  5. DID - DIN - D
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. D - Alphabetic
  5. DID - DIN - D
  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. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food & Beverage Standards - Chromatography
  5. Nutraceuticals - Food & Beverage Standards
  6. Flavors and Fragrances - Nutraceuticals
  7. A-F - Flavors and Fragrances
  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. Ethers

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