甲酚

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 表征图谱

甲酚 基本信息

中文名称:
甲酚 
中文别名:
甲酚;
甲酚异构体混合物;
混合甲酚 
英文名称:
Cresol
英文别名:
Cresol;
cresoli;
TRICRESOL;
Cresylol;
tekresol;
bacillol;
kresolen;
kresole;
p-cresol,m-cresol,mixture of;
krezol;
m-cresol,p-cresol,mixture of 
CAS No.:
1319-77-3
分 子 式:
C7H8O
分 子 量:
108.14
精确分子量:
324.17300
PSA:
60.69000
MDL:
MFCD00151099
EINECS:
215-293-2
InChI:
InChI=1/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
危险品标志:
T:
风险术语:
R20;R24/25;R34;R52/53;R68;
安全术语:
S26;S36/37/39;S45;S61;
分子结构式:
SDS:
查看

甲酚 制备方法及用途

制备方法

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。

合成制备方法

 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。

用途简介

用于酚醛树脂、电器绝缘漆、磷酸三甲酚酯的制造以及用作染料、杀菌消毒液、杀虫剂、表面活性剂、水溶性木材防腐剂、浮选剂、润滑油添加剂、磁漆溶剂、防寒塑料增塑剂、裂解分散剂及癸二酸生产过程中的溶剂等。甲酚的杀菌力为苯酚的4倍,通常在混甲酚中加入肥皂水乳化,即成消毒剂来苏水。将混甲酚的邻、间、对甲酚分离,包括间对甲酚的混合物,在有机合成有广泛的用途。是制造表面活性剂、润滑油、合成材料助剂、染料中间体的原料。用作杀菌剂、防腐剂、消毒剂,如用于制臭药水、苏来乐(粗甲酚的肥皂液)、药肥皂等。杀菌力比苯酚约大四倍。用于制造酚醛树脂、水杨醛香豆素、绝缘漆等。

用途

1.用于酚醛树脂、电器绝缘漆、磷酸三甲酚酯的制造以及用作染料、杀菌消毒液、杀虫剂、表面活性剂、水溶性木材防腐剂、浮选剂、润滑油添加剂、磁漆溶剂、防寒塑料增塑剂、裂解分散剂及癸二酸生产过程中的溶剂等。甲酚的杀菌力为苯酚的4倍,通常在混甲酚中加入肥皂水乳化,即成消毒剂来苏水。将混甲酚的邻、间、对甲酚分离,包括间对甲酚的混合物,在有机合成有广泛的用途。

2.是制造表面活性剂、润滑油、合成材料助剂、染料中间体的原料。

3.用作杀菌剂、防腐剂、消毒剂,如用于制臭药水、苏来乐(粗甲酚的肥皂液)、药肥皂等。杀菌力比苯酚约大四倍。用于制造酚醛树脂、水杨醛香豆素、绝缘漆等。

甲酚 物化性质

外观与性状:
淡黄色至淡粉红色液体
密度:
1.04
熔点:
-1--2°C
沸点:
88-94°C
闪点:
82°C
水溶解性:
1.932 g/100 mL
折射率:
1.546
蒸汽压:
0.379mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥,与氧化剂分开存放
稳定性相关:

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。

 

其它信息:

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。

甲酚 安全信息

包装等级:
II
风险类别:
6.1(a)
海关代码:
2707991000
WGK_Germany:
1
德国有关水污染物质的分类清单
危险类别码:
R20;R24/25;R34;R52/53;R68
安全说明:
S26-S36/37/39-S45-S61
RTECS号:
GO5950000
危险标志:
T:Toxic

甲酚 毒理性

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)
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。

甲酚 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

甲酚 分子结构与计算化学数据

分子结构数据

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

计算化学数据

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

甲酚 表征图谱

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