1319-77-3

• 常用中文名：混合甲酚
• 常用英文名：Cresol
• CAS号：1319-77-3
• 分子式：C₇H₈O
• 分子量：108.138
• 相关类别： 原料药 人工合成抗感染类药 消毒防腐药
• 发布时间：2018-04-06 08:00:00
• 更新时间：2024-01-03 19:24:07
• Cresol是一种有机化合物,是芳香族有机化合物广泛存在的天然及合成基团。

名称

• 中文名: 甲酚
• 英文名: Cresol
• 中文别名: 甲酚异构体混合物
• 英文别名: hydroxytoluene; Cresol, o-; tekresol; Cresol, ortho-; 2-hydroxytoluene; Phenol, 2-methyl-; bacillol; m-cresol,p-cresol,mixture of; o-Methylphenol; ortho-cresol; o-Cresol; kresolen; o-Hydroxytoluene; Cresol, o-isomer; p-cresol,m-cresol,mixture of; 2-hydroxy-1-methylbenzene; o-Cresol [UN2076] [Poison, Corrosive]; 2-cresol; TRICRESOL; krezol; cresylic acid; Cresylol; cresoli; Monomethyl phenol; EINECS 215-293-2; kresole; MFCD00151099

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 191.0±0.0 °C at 760 mmHg
• 熔点: -1--2°C
• 分子式: C₇H₈O
• 分子量: 108.138
• 闪点: 81.1±0.0 °C
• 精确质量: 108.057518
• PSA: 60.69000
• LogP: 1.94
• 外观性状: 淡黄色至淡粉红色液体
• 蒸汽压: 0.4±0.3 mmHg at 25°C
• 折射率: 1.546
• 储存条件:

  1.保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置。

  2.可用镀镍钢、不锈钢或玻璃衬里容器密封阴凉处贮存。

• 稳定性:

  1.为邻甲酚、间甲酚和对甲酚三种异构体的混合物。化学性质和苯酚相似，有弱酸性，与氢氧化钠作用生成可溶性的钠盐，但不与碳酸钠作用。甲酚钠盐与硫酸二甲酯一类的烷基化剂反应，生成酚醚。与醛类反应得到合成树脂。催化加氢生成甲基环己醇。在温和条件下，甲酚即可进行硝化、卤化、烷基化和磺化反应。甲酚容易氧化，与光和空气接触颜色即变深，生成醌类及其他复杂的化合物。

  2.甲酚的异构体中，对甲酚熔点最高，邻甲酚最易挥发。甲酚能与有机碱、有机酸、无机酸、离子等形成各种分子复合物。对金属有腐蚀性。

• 水溶解性: 1.932 g/100 mL
• 分子结构:

  1、摩尔折射率：无可用的

  2、摩尔体积（cm³/mol）：无可用的

  3、等张比容（90.2K）：无可用的

  4、表面张力（dyne/cm）：无可用的

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：无可用的

  7、单一同位素质量：324.172545 Da

  8、标称质量：324 Da

  9、平均质量：324.4135 Da

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：1.9

  2、 氢键供体数量：1

  3、 氢键受体数量：1

  4、 可旋转化学键数量：0

  5、 互变异构体数量：2

  6、 拓扑分子极性表面积（TPSA）：20.2

  7、 重原子数量：8

  8、 表面电荷：0

  9、 复杂度：62.8

  10、 同位素原子数量：0

  11、 确定原子立构中心数量：0

  12、 不确定原子立构中心数量：0

  13、 确定化学键立构中心数量：0

  14、 不确定化学键立构中心数量：0

  15、 共价键单元数量：1

• 更多:

  1. 性状：无色或呈黄棕色液体，有苯酚气味。

  2. 密度（g/mL,20/4℃）： 1.030-1.047

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：11-35

  5. 沸点（ºC,常压）：191-203

  6. 沸点（ºC,5.2kPa）： 未确定

  7. 折射率： 未确定

  8. 闪点（ºC）： 82

  9. 比旋光度（º）： 未确定

  10. 自燃点或引燃温度（ºC）： 未确定

  11. 蒸气压（kPa,25ºC）： 未确定

  12. 饱和蒸气压（kPa,60ºC）： 未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）： 未确定

  15. 临界压力（KPa）： 未确定

  16. 油水（辛醇/水）分配系数的对数值： 未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）： 未确定

  19. 溶解性：微溶于水，能与乙醇、乙醚、苯、氯仿、乙二醇、甘油等混溶。

生物活性

• 描述: Cresol是一种有机化合物,是芳香族有机化合物广泛存在的天然及合成基团。
• 相关类别:
  信号通路 >> 自噬 >> 自噬
  信号通路 >> 自噬 >> 自噬
  研究领域 >> 其他

MSDS

Name: Lysol BP disinfectant Material Safety Data Sheet Synonym: CAS: 1319-77-3 Section 1 - Chemical Product MSDS Name:Lysol BP disinfectant Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1319-77-3 Cresols 49.0 215-293-2 Hazard Symbols: T C Risk Phrases: 34 24/25 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns. Toxic in contact with skin and if swallowed.Toxic.Corrosive. Potential Health Effects Eye: Causes eye burns. May result in corneal injury. Skin: Harmful if absorbed through the skin. Causes skin burns. Prolonged and/or repeated contact may cause irritation and/or dermatitis. Ingestion: Symptoms may include: headache, excitement, fatigue, nausea, vomiting, stupor, and coma. Causes gastrointestinal tract burns. Inhalation: May cause respiratory tract irritation. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. Inhalation: Not available. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Substance is nonflammable. Extinguishing Media: Substance is nonflammable; use agent most appropriate to extinguish surrounding fire. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Wash area with soap and water. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use with adequate ventilation. Storage: Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Exposure Limits CAS# 1319-77-3: United States OSHA: 5 ppm TWA; 22 mg/m3 TWA Belgium - TWA: 5 ppm VLE; 22 mg/m3 VLE France - VME: 5 ppm VME; 22 mg/m3 VME Germany: 5 ppm TWA; 22 mg/m3 TWA Germany: Skin absorber Japan: 5 ppm OEL; 22 mg/m3 OEL Malaysia: 5 ppm TWA; 22 mg/m3 TWA Russia: 0.5 mg/m3 TWA Spain: 5 ppm VLA-ED; 22 mg/m3 VLA-ED CAS# 7732-18-5: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Aerosol Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: Molecular Weight: Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Cresols are slightly explosive in vapor form. They reacy vigorously with oxidizing materials. They react violently with nitric acid, oleum or chlorosulfonic acid. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1319-77-3: GO5950000 CAS# 7732-18-5: ZC0110000 LD50/LC50: CAS# 1319-77-3: Oral, mouse: LD50 = 760 mg/kg; Oral, mouse: LD50 = 860 mg/kg; Oral, rat: LD50 = 1454 mg/kg; Skin, rabbit: LD50 = 2 gm/kg; Skin, rabbit: LD50 = 200 mg/kg. CAS# 7732-18-5: Oral, rat: LD50 = >90 mL/kg. Carcinogenicity: Cresols - Not listed by ACGIH, IARC, or NTP. Water - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: DISINFECTANT, LIQUID, TOXIC, NOS Hazard Class: 6.1 UN Number: 3142 Packing Group: II IMO Shipping Name: DISINFECTANT, LIQUID, TOXIC, NOS Hazard Class: 6.1 UN Number: 3142 Packing Group: II RID/ADR Shipping Name: DISINFECTANT, LIQUID, TOXIC, NOS Hazard Class: 6.1 UN Number: 3142 Packing group: II USA RQ: CAS# 1319-77-3: 100 lb final RQ; 45.4 kg final RQ Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T C Risk Phrases: R 24/25 Toxic in contact with skin and if swallowed. R 34 Causes burns. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 28 After contact with skin, wash immediately with... S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 1319-77-3: No information available. CAS# 7732-18-5: No information available. Canada CAS# 1319-77-3 is listed on Canada's DSL List. CAS# 7732-18-5 is listed on Canada's DSL List. CAS# 1319-77-3 is listed on Canada's Ingredient Disclosure List. CAS# 7732-18-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1319-77-3 is listed on the TSCA inventory. CAS# 7732-18-5 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 属低毒类。毒性和苯酚相似。吸入高浓度的甲酚蒸气时，引起全身疲倦、呕吐、失眠、痉挛，严重时产生虚脱甚至死亡。误饮时腐蚀内脏器官，引起剧烈腹痛，成人致死量为8g。长时期吸入低浓度的甲酚蒸气，会使消化器官和神经受损，引起下咽困难，唾液过多，下泻，食欲减退，头痛，眼花，精神不安定，慢性肾炎，苯酚尿等。甲酚和苯酚一样能使蛋白质变性，与皮肤接触时使皮肤受损，出现斑疹。经皮肤吸收也能引起中毒。工作场所最高容许浓度22.1mg/m3。三种异构体中邻甲酚毒性最大，间甲酚的毒性最小。大鼠经口LD50邻甲酚为1350mg/kg、间甲酚为2020mg/kg、对甲酚为1800mg/kg。 生态学数据: 对是水稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : GO5950000 CHEMICAL NAME : Cresol CAS REGISTRY NUMBER : 1319-77-3 BEILSTEIN REFERENCE NO. : 0506719 LAST UPDATED : 199712 DATA ITEMS CITED : 44 MOLECULAR FORMULA : C7-H8-O MOLECULAR WEIGHT : 108.15 WISWESSER LINE NOTATION : QR X1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - man DOSE/DURATION : 177 mg/kg TOXIC EFFECTS : Blood - other hemolysis with or without anemia Blood - other changes REFERENCE : CMAJAX Canadian Medical Association Journal. (Canadian Medical Assoc., POB 8650, Ottawa, ON K1G 0G8, Canada) V.1- 1911- Volume(issue)/page/year: 130,1319,1984 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human DOSE/DURATION : 114 mg/kg TOXIC EFFECTS : Vascular - other changes REFERENCE : 85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,404,1989 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1454 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB214-270 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 760 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : KSGZA3 Kyushu Shika Gakkai Zasshi. Journal of the Kyushu Dental Society. (c/o Kyushu Shika Daigaku, 2-6-1 Manazuru, Kokurakita-ku, Kitakyushu, Japan) V.1- 1933- Suspended 1941-50. Volume(issue)/page/year: 36,932,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 2 gm/kg 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 *** REVIEWS *** ACGIH TLV-TWA 22 mg/m3 (5 ppm) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 MSHA STANDARD:skin 5 ppm (22 mg/m3) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,61,1971 OSHA PEL (Gen Indu):8H TWA 5 ppm (22 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 5 ppm (22 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 5 ppm (22 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 5 ppm (22 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-ARAB Republic of Egypt:TWA 5 ppm (23 mg/m3) JAN 1993 OEL-AUSTRALIA:TWA 5 ppm (22 mg/m3);Skin JAN 1993 OEL-BELGIUM:TWA 5 ppm (22 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 5 ppm (22 mg/m3);Skin JAN 1993 OEL-FINLAND:TWA 5 ppm (22 mg/m3);STEL 10 ppm (44 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 5 ppm (22 mg/m3);Skin JAN 1993 OEL-GERMANY:TWA 5 ppm (22 mg/m3);Skin JAN 1993 OEL-HUNGARY:TWA 5 mg/m3;STEL 10 mg/m3 JAN 1993 OEL-INDIA:TWA 5 ppm (22 mg/m3);Skin JAN 1993 OEL-JAPAN:TWA 5 ppm (22 mg/m3);Skin JAN 1993 OEL-THE NETHERLANDS:TWA 5 ppm (22 mg/m3);Skin JAN 1993 OEL-THE PHILIPPINES:TWA 5 ppm (22 mg/m3);Skin JAN 1993 OEL-POLAND:TWA 5 mg/m3 JAN 1993 OEL-RUSSIA:TWA 5 ppm;STEL 0.5 mg/m3;Skin JAN 1993 OEL-SWITZERLAND:TWA 5 ppm (22 mg/m3);STEL 10 ppm (44 mg/m3);Skin JAN 1993 OEL-TURKEY:TWA 5 ppm (22 mg/m3);Skin JAN 1993 OEL-UNITED KINGDOM:TWA 5 ppm (22 mg/m3);Skin JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO CRESOL, all isomers-air:10H TWA 2.3 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 20380 No. of Facilities: 8215 (estimated) No. of Industries: 86 No. of Occupations: 78 No. of Employees: 71952 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 20380 No. of Facilities: 7461 (estimated) No. of Industries: 84 No. of Occupations: 65 No. of Employees: 132742 (estimated) No. of Female Employees: 28184 (estimated)

安全

• 符号: GHS05, GHS06, GHS08
• 信号词: Danger
• 危害声明: H301 + H311-H314-H341-H412
• 警示性声明: P201-P280-P301 + P310 + P330-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338
• 个人防护装备: Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): T:Toxic
• 风险声明 (欧洲): R20;R24/25;R34;R52/53;R68
• 安全声明 (欧洲): S26-S36/37/39-S45-S61
• 危险品运输编码: UN 2076 6.1/PG 2
• WGK德国: 1
• RTECS号: GO5950000
• 包装等级: II
• 危险类别: 6.1(a)
• 海关编码: 2707991000

制备

合成甲酚的方法有多种，各种方法得到的产品中异构体的含量也有所不同。

1. 甲苯磺化法 该法与苯磺化制苯酚的过程相类似。首先将甲苯磺化得到甲苯磺酸，而后用氢氧化钠处理熔融的磺化物，得到甲酚钠盐。将钠盐与水混合，通入二氧化硫或加入硫酸酸化得到甲酚。在低真空度下蒸去粗甲酚的水分后，再在（80-93.3kPa）的真空度下，收集150-200℃馏分得混合甲酚。其中邻、间、对三种异构体的比例随反应条件而异，一般情况下，对位最多，间位较少，邻位更少。该法生产每吨混甲酚消耗甲苯1374kg，30%液碱5000多kg。

2. 甲基异丙基苯氧化法 这是美国赫格里斯炸药公司采用的方法。甲苯用丙烯进行烷基化，得到间、对、位异构体比例为2.5-3：1的甲基异丙苯混合物，其中邻位异构体很少。然后在25-35℃通入含氧气体，将甲基异丙苯氧化为甲基异丙基苯过氧化物，再经硫酸处理，得到富含间、对位异构体的甲酚，同时联产丙酮。该法与异丙苯法生产苯酚和丙酮的工艺相似。

3.煤焦油分馏法 由高温炼焦副产粗酚经分馏而得。

海关

海关编码	2707991000