3,4-Dimethylphenol 3,4-二甲基苯酚

CAS 95-65-8 MFCD00002304

化学结构图

95-65-8
SMILES: CC1CCC(O)CC1C

化学属性

Mol. FormulaC8H10O
Mol. Weight122
Boiling Point227
Density1.138
Melting Point63.0 to 68.0 deg-C
TSCAYes
Flash Point61 ºC
Solubility略溶于水
Stability对光敏感

别名和识别编码

Chemical Name3,4-Dimethylphenol
CAS Number95-65-8
MDL NumberMFCD00002304
Synonym 3,4-DMP {LY} 3,4-DMP 3,4-Dimethylphenol, 98+% 3,4-Dmp 3,4-Xylenol 3,4-二甲基苯酚 3,4-二甲基酚 3,4-二甲苯酚, 1,2-二甲基-4-羟基苯,1-羟基-3,4-二甲苯,不对称邻二甲苯酚,4-羟基邻二甲苯 3,4-二甲酚 4-羟基邻二甲苯 4-Hydroxy-o-xylol 4-二甲苯 4-二甲苯酚 4-二甲酚 4-二甲酚标准溶液 4-羟基邻二甲苯 ASYM-O-XYLENOL FEMA 3596 O-XYLENOL Phenol, 3,4-dimethyl- asym.-o-Xylenol {} {LY} 3,4-DMP {} {} {LY} 3,4-DMP {} {} {} {LY} 3,4-DMP {} {} {} {} {LY} 3,4-DMP {} {} {} {} {} {LY} 3,4-DMP {} {} {} {} {} {} {LY} 3,4-DMP {} {} {} {} {} {} {} {LY} 3,4-DMP {} {} {} {} {} {} {} {} {LY} 3,4-DMP {} {} {} {} {} {} {} {} {} {LY} 3,4-DMP {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 3,4-DMP {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4-DMP {} {} {} {} {} {} {} {} {}
PubChem Substance ID87567407
EC Number202-439-5
Beilstein Registry Number6,480
Merck Number10082
Reaxys-RN1099267
Chemical Name Translation3,4-二甲基苯酚
Wiswesser Line NotationQR C1 D1
LabNetwork Molecule IDLN00222969
InChIInChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
Canonical SMILESOC1=CC=C(C)C(C)=C1
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分类

  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • {SNA} A-F, A-L, Additional Standards, Alcoholic & Nonalcoholic Beverages, Analytical Standards, Chemical Class, Coffee, D, Flavor and Fragrance Standards, Food & Beverage Standards, Food and Cosmetic Component Standards, Phenol,
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Q-Z
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Follows IFRA Guidelines,
  • {SNA} Alphabetical Listings,
  • {SNA} Building Blocks, C6 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols

产品应用

  • 有机合成。

相关文献及参考

  • Short: II/27B
  • Beilstein:6,480
  • Short: III/35D2

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
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
RTECSZE6300000
Precautionary statements
  • 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。
  • P303+P361+P353+P310+P363
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P405 Store locked up. 上锁保管。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P304+P340
  • P303+P361+P353
  • 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。
  • 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。
  • P304+P340+P310
  • P305+P351+P338+P310
  • P301+P330+P331+P310
Signal word
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);
Packing GroupII
UN Number UN 2261 6.1/PG 2 2261
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
Hazard Codes 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
Warnings 危化品目录(2015)
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       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 727 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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 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),329,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Kidney, Ureter, Bladder - other changes in urine composition
   Skin and Appendages - hair
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0533431

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 800 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),329,1968

TYPE OF TE

Restrict 危险品

其他信息

  • 灭火剂:砂土、泡沫、二氧化碳、雾状水。
  • 急性毒性:口服-大鼠 LD50: 727 毫克/公斤; 口服-小鼠 LD50: 400 毫克/公斤
  • 爆炸物危险特性:对皮肤,角膜有腐蚀性
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放。
  • 用途二:由于工业二甲酚富含3,4-二甲酚、3,5-二甲酚,因此可作为3,4-二甲酚、3,5-二甲酚的来源,并可作为消毒剂、增塑剂和农药等的原料。3,4-二甲酚用于制备亚胺类树脂(工程塑料)、消毒剂、杀虫剂、染料和香料等。3,5-二甲酚用作消毒剂、杀虫剂、香料、染料、抗氧剂、合成树脂的原料等。
  • 上游原料:1,2-二甲苯 --> 焦油 --> 发光油 --> 杂酚 --> 2,6-二甲基苯酚 --> 二甲酚 --> 3,5-二甲基苯酚
  • 方法一:由煤焦油的洗油馏分,经氢氧化钠皂化、硫酸酸化得到的粗酚中含有苯酚、甲酚和二甲酚。由粗酚分离可得混合二甲酚,通过精馏切除3,5-二甲酚,将剩余物精馏,收集225-229℃馏分、冷却结晶,离心分离即得3,4-二甲酚。另外以邻二甲苯为原料,经磺化、碱熔、酸析、蒸馏,也可得到该品。
  • 类别:有毒物品
  • 使用限量:FEMA(mg/kg):焙烤制品4.0;肉制品、汤料、肉羹、果仁制品、速溶咖啡和茶、家用调味香料,2.0。
  • TCI Shanghai:3,4-二甲基苯酚 3,4-Dimethylphenol,>;98.0%(GC)(95-65-8)
  • MOL 文件:95-65-8.mol
  • 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) 3,4-二甲酚 食品 食品
  • 毒性分级:中毒
  • 可燃性危险特性:遇明火、高热可燃; 燃烧产生刺激烟雾
  • 参考质量标准:FAO/WHO,2000 含量(GT-10-4) ≥98% 熔点 62~68℃
  • 毒性:GRAS(FEMA)。
  • 2,3-二甲基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010104 3,4-二甲苯酚 100g 160元 2011/04/16 D0777 3,4-二甲基苯酚 3,4-Dimethylphenol 25G 222元 2011/04/16 D0777 3,4-二甲基苯酚 3,4-Dimethylphenol 500G 1120元
  • 遇热分解。易溶于乙醚,溶于乙醇,微溶于水。中等毒,半数致死量(大鼠,经口)500mg/kg。有腐蚀性。
  • MSDS 信息:3,4-二甲苯酚(95-65-8).msds
  • Alfa Aesar:3,4-二甲基苯酚,98+% 3,4-Dimethylphenol, 98+%(95-65-8)
  • 遇热分解。微溶于水,溶于NaOH溶液,易溶于乙醚、乙醇、氯仿和苯。中等毒,半数致死量(大鼠,经口)500mg/kg。有腐蚀性。
  • Acros Organics:3,4-二甲基苯酚 3,4-Dimethylphenol, 99%(95-65-8)
  • 用途三:用于生染料,消毒剂、溶剂、药物及用作抗氧剂。用于ICP-AES、AAS、AFS、ICP-MS、离子色谱等。滴定分析用标准溶液。
  • FEMA:3596
  • 图谱信息:2,3-二甲基苯酚(95-65-8)质谱(MS) 2,3-二甲基苯酚(95-65-8)核磁图( 13 CNMR) 2,3-二甲基苯酚(95-65-8)红外图谱(IR2) 2,3-二甲基苯酚(95-65-8)红外图谱(IR1) 2,3-二甲基苯酚(95-65-8)Raman光谱 2,3-二甲基苯酚(95-65-8)核磁图( 1 HNMR)
  • 用途一:用于制造改性聚酰亚胺、杀虫剂、染料等
  • 外观性质:白色针状结晶。
  • 海关编码:29071400

系列性分类


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