乙烯酮

乙烯酮 基本信息
CAS号 463-51-4 分子式 C2H2O
分子量 42.03670 精确质量  42.01060
PSA  17.07000 LogP  0.00400

基本信息 展开↓

CAS号:
463-51-4
3D弹球模型:
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分子式:
C2H2O
分子量:
42.03670
中文名称:
乙烯酮
英文名称:
ethenone
中文别名:
乙烯酮
英文别名:
ethenone;
ketene;
carbometene;
oxoethylene;
Ethen-1-one;
ethylene-oxide;
Keten;
methylene ketone;
methyleneoxaethylene;
Carbomethene
精确分子量/精确质量:
42.01060
极性分子表面积/PSA:
17.07000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
207-336-9
InChI:
InChI=1/C2H2O/c1-2-3/h1H2

物化性质展开↓

外观与性状:
无色气体,带有特有的气味
密度:
0.712 g/cm3
熔点:
-150ºC
沸点:
-56ºC
折射率:
1.303
蒸汽压:
12600mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥,与氧化剂分开储运

安全信息展开↓

风险类别:
2.3
海关代码:
2914190090

合成路线查看所有的合成路线

  • 22118-09-8

    溴乙酰氯

  • ~92%

  • 463-51-4

    乙烯酮

  • 67-64-1

    丙酮

  • ~91%

  • 463-51-4

    乙烯酮

  • 59992-00-6

    cis-tropilidene trioxide

  • ~19%

  • 110-00-9

    呋喃

  • +

  • 463-51-4

    乙烯酮

  • +

  • 75-07-0

    乙醛

  • +

  • 107-02-8

    丙烯醛

  • +

  • 108-95-2

    苯酚

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OA7700000
CHEMICAL NAME :
Ketene
CAS REGISTRY NUMBER :
463-51-4
LAST UPDATED :
199712
DATA ITEMS CITED :
30
MOLECULAR FORMULA :
C2-H2-O
MOLECULAR WEIGHT :
42.04
WISWESSER LINE NOTATION :
OCU1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
23 ppm/30M
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,209,1949
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
200 ppm/10M
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - other changes
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,209,1949
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
750 ppm/10M
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - other changes Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,209,1949
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
53 ppm/2H
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - other changes
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,209,1949
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
53 ppm/2H
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,209,1949 *** REVIEWS *** ACGIH TLV-STEL 2.6 mg/m3 (1.5 ppm) 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 ACGIH TLV-TWA 0.86 mg/m3 (0.5 ppm) 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 *** MSHA STANDARD-air:TWA 0.5 ppm (0.9 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: 3,143,1971 OSHA PEL (Gen Indu):8H TWA 0.5 ppm (0.9 mg/m3) 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 0.5 ppm (0.9 mg/m3) 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 0.5 ppm (0.9 mg/m3) 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 0.5 ppm (0.9 mg/m3) 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 0.5 ppm (0.9 mg/m3) JAN 1993 OEL-AUSTRALIA:TWA 0.5 ppm (0.9 mg/m3);STEL 1.5 ppm (3 mg/m3) JAN 1993 OEL-BELGIUM:TWA 0.5 ppm (0.89 mg/m3);STEL 1.5 ppm (2.6 mg/m3) JAN 1993 OEL-DENMARK:TWA 0.5 ppm (0.9 mg/m3) JAN 1993 OEL-FINLAND:STEL 0.5 ppm (0.9 mg/m3) JAN 1993 OEL-FRANCE:TWA 0.5 ppm (0.9 mg/m3) JAN 1993 OEL-GERMANY:TWA 0.5 ppm (0.9 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 0.5 ppm (0.9 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 0.5 ppm (0.9 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 0.5 ppm (0.9 mg/m3);STEL 1 ppm (1.8 mg/m3) JAN 1993 OEL-TURKEY:TWA 0.5 ppm (0.9 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 0.5 ppm (0.9 mg/m3);STEL 1.5 ppm 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 KETENE-air:10H TWA 0.5 ppm;STEL 1.5 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 - 41840 No. of Facilities: 33 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 66 (estimated)

海关数据查看详细

中国海关编码:2914190090

概述:
2914190090 其他不含其他含氧基的无环酮。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙酮报明包装
摘要/Summary:
2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):0.8

2.氢键供体数量:0

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:17.1

7.重原子数量:3

8.表面电荷:0

9.复杂度:25.8

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

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