O-Cresol 邻甲酚

CAS 95-48-7 MFCD00002226

化学结构图

95-48-7
SMILES: CC1CCCCC1O

化学属性

Mol. FormulaC7H8O
Mol. Weight108.14
Boiling Point191
Melting Point29-31
Density1.048
Flash Point81.11°C
TSCAYes
Autoignition Point1110 °F
Vapor Density3.72 (vs air)
Vapor Pressure0.3 mmHg ( 20 °C)
Refractive indexn20/D 1.541-1.550
Solubility20 G/L (20 ºC)
Stability对光敏感

别名和识别编码

Chemical NameO-Cresol
Synonym 2-Cresol {LY} 2-Cresol 2-Methylphenol 2-甲基酚 FEMA 3480 O-CRESYLIC ACID o-Methylphenol {} {LY} 2-Cresol {} {} {LY} 2-Cresol {} {} {} {LY} 2-Cresol {} {} {} {} {LY} 2-Cresol {} {} {} {} {} {LY} 2-Cresol {} {} {} {} {} {} {LY} 2-Cresol {} {} {} {} {} {} {} {LY} 2-Cresol {} {} {} {} {} {} {} {} {LY} 2-Cresol {} {} {} {} {} {} {} {} {} {LY} 2-Cresol {} {} {} {} {} {} {} {} {} {} {LY} 2-Cresol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cresol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cresol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cresol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cresol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cresol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cresol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number95-48-7
EC Number202-423-8
Beilstein Registry Number506917
MDL NumberMFCD00002226
Reaxys-RN506917
PubChem Substance ID335
Merck Number2579
Chemical Name Translation邻甲酚
InChIKeyQWVGKYWNOKOFNN-UHFFFAOYSA-N
Wiswesser Line NotationQR B1
InChIInChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
LabNetwork Molecule IDLN00004380
Canonical SMILESOC1=CC=CC=C1C
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分类

  • {SNA} A-F, All Alphabetically Sorted, Alpha Sort, Alphabetical Index of Analytical Standards, Analytical Standards,
  • {SNA} Alphabetical Listings, C-D, Flavors and Fragrances, Kosher Certified Products, O-Z
  • {SNA} Alphabetical Index of Analytical Standards, Alpha Sort, Analytical Standards, Analytical/Chromatography, Chromatography, Environmental Standards, Herbicides, M, META - METH, Methylphenol, Pesticides & Metabolites, Volatiles/ Semivolatiles
  • {SNA} A-D, Alphabetical Listings, C-D, Flavors and Fragrances, Kosher Certified Products
  • {Chemicalbook} 农药中间体: 除草剂中间体: 苯氧羧酸类和芳氧基苯氧基羧酸类除草剂

产品应用

  • 检定硝酸盐、砷酸盐和五氯化锑, 测酶试剂, 溶剂, 树脂和塑料增塑剂, 防霉剂，消毒剂。有机合成。

相关文献及参考

  • Merck: 14,2579
  • Merck: 14,2579 Beilstein:6,349

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H301+H311
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H301 Toxic if swallowed 吞食有毒
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
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
Hazard Codes 6.1 T
RTECSGO6300000
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • 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。
  • 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。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P310+P330
  • P303+P361+P353
  • P304+P340+P310
  • P305+P351+P338
  • P308+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
UN Number 2076/3455 3455 UN 3455 6.1/PG 2 UN3455
Safety Statements
  • 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；
  • 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
  • R24/25 Toxic in contact with skin and if swallowed 皮肤接触及吞食都有毒
  • R34 Causes burns 会导致灼伤
Packing GroupII
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard Class6.1/8
Warnings 危化品目录(2015) 危险化学品 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4800 mg/kg/12W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic 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           : 121 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - dyspnea
   Gastrointestinal - ulceration or bleeding from stomach
REFERENCE :
   BIOFX* BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets.  (1810
   Frontage Rd., Northbrook, IL 60062)  Volume(issue)/page/year: 4-5/1969

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RBPMAZ Revue Belge de Pathologie et de Medecine Experimentale.  (Brussels,
   Belgium)  V.18-31, 1947-65.  For publisher information, see PTEUA6.
   Volume(issue)/page/year: 22,1,1952

{

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig,
   Ger. Dem. Rep.)  Volume(issue)/page/year: 4,1361,1935

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 890 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   42,417,1977

TYPE OF TEST            : LDLo - Lowest published

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Human Fibroblast
DOSE/DURATION           : 8 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 137,51,1984

其他信息

  • 可燃性危险特性:可燃; 燃烧产生刺激烟雾
  • 有酚气味，长久暴露空气或日光中，色泽变暗。能与醇、醚及氯仿混溶，能溶于氢氧化碱溶液，微溶于水（1：40）。中等毒，半数致死量（大鼠，
  • 用途一:用作分析试剂，也用于有机合成
  • {
  • 有酚气味，长久暴露空气或日光中，色泽变暗。能与醇、醚
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放。
  • MOL 文件:95-48-7.mol
  • MSDS 信息:2-甲酚(95-48-7).msds
  • TCI Shanghai:邻甲酚 o-Cresol,>;99.0%(GC)(95-48-7)
  • 下游产品:间甲酚 --> 苄嘧磺隆 --> 2-羟基苯甲醛 --> 4-甲基苯酚 --> 香豆素 --> 2,6-二甲基苯酚 --> 2-甲基-4-氯苯氧乙酸 --> 防老剂AM --> 2-甲基苯甲醚 --> 邻甲酚酞 --> 溴甲酚紫 --> 4-羟基-3-甲基苯甲酸 --> 靛红联二甲酚 --> 邻磷酸三甲酚酯 --> 3-甲基水杨酸 --> 甲酚红 --> 4-氯苯甲醚 --> 2甲4氯钠水剂
  • 爆炸物危险特性:与空气混合高温可爆; 对皮肤,角膜有腐蚀性
  • 海关编码:29071200
  • 蒸气密度:3.
  • {Chemicalb
  • 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） 邻-甲酚 食品 食品用香料 用于
  • 图谱信息:邻甲酚(95-48-7)核磁图( 1 HNMR) 邻甲酚(95-48-7)质谱(MS) 邻甲酚(95-48-7)红外图谱(IR1) 邻甲酚(95-48-7)核磁图( 13 CNMR) 邻甲酚(95-48-7)红外图谱(IR2) 邻甲酚(95-48-7)Raman光谱
  • 用途六:用于制造除草剂二甲四氯、生产癸二酸的稀释剂，消毒剂、医药中间体。也用于生产树脂、增
  • 职业标准:TWA 22 毫克/ 立方米; STEL 44 毫克/公斤
  • 用途三:用于有机合成，也作消毒剂和防腐剂
  • 用途七:检定硝酸盐、砷酸盐和五氯化锑, 测酶试剂, 溶剂, 树脂和塑料增塑剂, 防霉剂，消毒剂。有机合成。
  • 防护措施:有毒。主要作用于中枢神经，严重时甚至致死。甲酚蒸气或者烟雾可损伤皮肤，吸入时，能引起慢性肾炎和神经障碍。工作场所空气中最高容许浓度5ppm。大鼠经口LD50为1350mg/kg。生产设备应密闭，操作人员应配备防护用具。
  • 用途二:是农药除草剂的重
  • {C
  • FEMA:3480
  • 类
  • 方法一:由粗酚经
  • 方法三:从煤焦化所得的酚油中切取的甲酚馏分含邻甲酚6%，间甲酚49.4%，对甲酚32.1%，还含二甲酚及少量苯酚。邻甲酚沸点比间、对甲酚低10℃，有可能利用一般蒸馏塔将其分离。将粗酚蒸馏切取的邻甲酚馏分在不低于40块理论塔板的精馏柱内蒸馏，回流比采取14-15：1，切取馏程为188-192℃，获得的精邻甲酚熔点约29℃，纯度大于97%。合成法主要有以下几种：1.苯酚烷基化法以苯酚、甲醇为原料，在约4.14MPa表压下及三氧化二铝催化剂存在下进行甲基化而得。2.邻甲苯胺法 该法用于试剂生产，由邻甲苯胺重氮化、水解而得。3.甲苯羟基化法。
  • 蒸气压:0.3 mm Hg ( 20 °C)
  • 方法二:其制备方法是以苯酚为原料，用甲醇作烃化剂，在催化剂存在下可以制得邻甲酚。采用固定床列管式反应器，反应温度335～360℃，催化剂可用三氧化二铝或氧化镁，也可用五氧化二钒-三氧化二铁。通过反应器得到的反应混合物中，有甲醇、苯酚、邻甲酚和2，6-二甲酚，进行分馏分离，先蒸出甲醇和水，再脱苯酚回收，然后产品邻甲酚精馏提纯，蒸馏时压力0.098 MPa，温度为101～102℃，在塔顶蒸出的为邻甲酚，含量可达99.5％以上，塔釜为2，6-二甲酚。 邻甲酚也有用邻甲苯胺重氮化水解

系列性分类

  1. Chemical Synthesis 化学合成
  2. Catalysis and Inorganic Chemistry 催化剂和无机化学
  3. Boron 硼
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. A-D - Kosher Certified Products
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. C-D - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Lewis Acids 路易斯酸
  4. Aluminum - Lewis Acids
  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. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. META - METH - M
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. META - METH - M
  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. Pesticides - Pesticides & Metabolites
  7. Bactericides - Pesticides
  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. Herbicides for Use in Environmental Chromatography Standards
  7. Others - Herbicides
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. C - Alphabetic
  5. CO - CZ - C