3,5-Dimethylphenol 3,5-二甲基苯酚

CAS 108-68-9 MFCD00002307

化学结构图

108-68-9
SMILES: Cc1cc(C)cc(O)c1

化学属性

Mol. FormulaC8H10O
Mol. Weight122
Density1.0
Boiling Point95°C/4mmHg(lit.)
Melting Point61.0 to 66.0 deg-C
Flash Point109°(228°F)
Solubility微溶于水，溶于醇。
TSCAYes
Stability对空气和光线敏感
Danger-Level-
pH-:-
Redox-

别名和识别编码

Chemical Name3,5-Dimethylphenol
CAS Number108-68-9
EC Number203-606-5
Beilstein Registry Number6,492
MDL NumberMFCD00002307
Synonym ai3-01553 benzene,1-hydroxy-3 phenol, 3,5-dimethyl- SYM-M-XYLENOL 5-Hydroxy-m-xylol 3,5-Xylen-1-ol 3,5-Dmp 3,5-二甲基苯酚, 98+% 5-HYDROXY-1,3-DIMETHYLBENZENE 3，5-二甲苯酚 3,5-xylenol 1-HYDROXY-3,5-DIMETHYLBENZENE 3,5-茬醇 1-hydroxy-3,5-dimethylbenzene 5-HYDROXY-M-XYLENE SYM-XYLENOL 1,3-二甲基-5-羟基苯 DIMETHYLPHENOL(3,5-) 3,5-二甲酚标准溶液 羥間茬 1-羟基-3，5-二甲基苯 5-二甲酚 对称间二甲苯酚 3,5-二甲基酚 3,5-二甲苯-1-酚 3,5-二甲酚 1,3,5-Xylenol 5-羟基间二甲苯 3,5-二甲基苯酚 5-二甲基苯酚
PubChem Substance ID87568295
Merck Number10082
Chemical Name Translation3,5-二甲基苯酚
Reaxys-RN774117
Wiswesser Line NotationQR C1 E1
LabNetwork Molecule IDLN00198488
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分类

  • {SNA} A-F, Alcoholic & Nonalcoholic Beverages, Alphabetical Index of Analytical Standards, Analytical Standards, Chemical Class, Chromatography, Coffee,
  • {SNA} A-F,
  • {SNA} A-F, Alcoholic & Nonalcoholic Beverages, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography,
  • {SNA} A-F, Alcoholic & Nonalcoholic Beverages, Alphabetical Index of Analytical Standards, Analytical Standards, Chemical Class, Chromatography,
  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 氨基甲酸酯类杀虫剂
  • {SNA} Building Blocks, C6 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols

产品应用

  • 用于生产杀虫剂、橡胶促进剂、防老剂、药物、香料、酚醛树脂等。还用作轧钢冷轧油添加剂，可延长冷轧油使用寿命。

相关文献及参考

  • Short: II/27B
  • Merck:14,10082
  • Merck:14,10082 Beilstein: 6,IV,3141
  • Short: III/35D2

安全信息

Signal word
GHS Symbol
WGK Germany2
Safety Statements
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
  • 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。
  • 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。
  • 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+P330
  • P301+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSZE6475000
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
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 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 2261 UN 2261 6.1/PG 2
Hazard Codes T
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 - mouse
DOSE/DURATION           : 477 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       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 608 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            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >4 mg/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Disease

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 156 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 18,868,1975

Restrict -

其他信息

  • 方法一:将混合二甲酚精馏，收集218～222℃馏分，经冷却结晶、离心分离获得工业级的3，5-二甲酚。再用甲苯重结晶，可得纯度98％的成品。 将间二甲苯用浓硫酸在185℃磺化，于60～90℃中和，350℃左右碱熔，经硫酸酸化，最后进行减压蒸馏，可获得3，5-二甲酚，收率65％。
  • 可燃性危险特性:可燃; 燃烧释放有毒氯化物烟雾
  • MOL 文件:108-68-9.mol
  • Acros Organics:3,5-二甲基苯酚 3,5-Dimethylphenol, 99+%(108-68-9)
  • 方法二:混合二甲酚精馏，收集218-222℃馏分，经冷却结晶、离心分离获得工业级的3,5-二甲酚。再用甲苯重结晶，可得纯度98%的成品。将间二甲苯用浓硫酸在185℃磺化，于60-90℃中和，350℃左右碱熔，经硫酸酸化，最后进行减压蒸馏，可获得3,5-二甲酚，收率65%。
  • 微溶于水。
  • Sigma Aldrich:108-68-9(sigmaaldrich)
  • 类别:有毒物品
  • Alfa Aesar:3,5-二甲基苯酚,98+% 3,5-Dimethylphenol, 98+%(108-68-9)
  • 上游原料:间二甲苯 --> 2,6-二甲基苯酚
  • 敏感性:Air & Light Sensitive
  • 储运特性:库房通风低温干燥; 与食品原料、碱类、氧化剂分开储运
  • 用途三:用于生产杀虫剂、橡胶促进剂、防老剂、药物、香料、酚醛树脂等。还用作轧钢冷轧油添加剂，可延长冷轧油使用寿命。
  • 3,5-二甲基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1829 3,5-二甲酚 3,5-Dimethylphenol 25G 134元 2014/06/02 D1829 3,5-二甲酚 3,5-Dimethylphenol 500G 700元 2014/06/02 D0778 3,5-二甲基苯酚 3,5-Dimethylphenol 25G 189元
  • 海关编码:29071400
  • 图谱信息:3,5-二甲基苯酚(108-68-9)红外图谱(IR1) 3,5-二甲基苯酚(108-68-9)Raman光谱 3,5-二甲基苯酚(108-68-9)红外图谱(IR2) 3,5-二甲基苯酚(108-68-9)质谱(MS) 3,5-二甲基苯酚(108-68-9)核磁图( 1 HNMR) 3,5-二甲基苯酚(108-68-9)红外图谱(IR3) 3,5-二甲基苯酚(108-68-9)核磁图( 13 CNMR)
  • 外观性质:白色结晶。
  • 灭火剂:二氧化碳、砂土、泡沫、干粉
  • 刺激数据:眼睛-兔子 0.25 毫克 重度
  • 急性毒性:口服-大鼠 LD50: 608 毫克/公斤; 口服-小鼠 LD50: 477 毫克/公斤
  • 溶于醇及碱溶液，微溶于水。
  • TCI Shanghai:3,5-二甲基苯酚 3,5-Dimethylphenol,>;99.0%(GC)(108-68-9)
  • 毒性分级:高毒
  • 用途四:用于生产杀虫剂、橡胶促进剂、防老剂、药物、香料、酚醛树脂等。还用作轧钢冷轧油添加剂，可延长冷轧油使用寿命。用于ICP-AES、AAS、AFS、ICP-MS、离子色谱等。滴定分析用标准溶液。
  • MSDS 信息:3,5-二甲苯酚(108-68-9).msds
  • 用途二:3，5-二甲酚是制备氨基甲酸酯类杀虫剂灭梭威的中间体，还可用于生产橡胶促进剂、防老化剂、药物、香料、酚醛树脂等，还用作轧钢冷轧油添加剂，可延长冷轧油使用寿命。
  • 用途一:用于制酚醛树脂、医药、杀虫剂、染料和炸药等
  • 下游产品:2,3-二甲基苯酚 --> 4-甲硫基-3,5-二甲基苯酚 --> 灭除威

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  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. Environmental Standards - Chromatography
  5. Pesticides & Metabolites - Environmental Standards
  6. Alpha sort - Pesticides & Metabolites
  7. D - Alpha sort
  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