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异丙叉丙酮

异丙叉丙酮用途

用作涂料和树脂的溶剂，可用作药物、杀虫剂的中间体，也是生产甲基异丁基酮和甲基异丁基醇的原料

异丙叉丙酮名称

[ CAS 号 ]:
141-79-7

[ 中文名 ]:
异丙叉丙酮

[ 英文名 ]:
Mesityl oxide

[中文别名 ]:

[英文别名 ]:

EINECS 205-502-5
Mesityl oxide
MFCD00008900
2-methyl-2-penten-4-one
3-Penten-2-one, 4-methyl-
4-Methyl-3-pentene-2-one
4-Methyl-3-penten-2-one
4-methylpent-3-en-2-one

异丙叉丙酮物理化学性质

[ 密度 ]:
0.8±0.1 g/cm3

[ 沸点 ]:
132.7±9.0 °C at 760 mmHg

[ 熔点 ]:
−53 °C(lit.)

[ 分子式 ]:
C₆H₁₀O

[ 分子量 ]:
98.143

[ 闪点 ]:
30.6±0.0 °C

[ 精确质量 ]:
98.073166

[ PSA ]:
17.07000

[ LogP ]:
1.12

[ 外观性状 ]:
无色粘性液体,带有特有的气味，一经静置会变暗

[ 蒸汽压 ]:
8.8±0.2 mmHg at 25°C

[ 折射率 ]:
1.418

[ 储存条件 ]:
库房通风低温干燥,与氧化剂分开存放

[ 水溶解性 ]:
28 G/L (20 ºC)

异丙叉丙酮MSDS

异丙叉丙酮毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SB4200000

CHEMICAL NAME :: 3-Penten-2-one, 4-methyl-

CAS REGISTRY NUMBER :: 141-79-7

BEILSTEIN REFERENCE NO. :: 1361550

LAST UPDATED :: 199712

DATA ITEMS CITED :: 46

MOLECULAR FORMULA :: C6-H10-O

MOLECULAR WEIGHT :: 98.16

WISWESSER LINE NOTATION :: 1Y1&U1V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Human

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 28,262,1946

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 11/3/1971

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Human

DOSE/DURATION :: 25 ppm

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - conjunctive irritation

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 28,262,1946

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1120 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 6,896,1991

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 9 gm/m3/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,80,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 710 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,80,1982

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 10 gm/m3/2H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,80,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 354 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,6,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 6,896,1991

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 5150 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,71,1974

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 840 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 56,346,1906

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 500 ppm/8H

TOXIC EFFECTS :: 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: 24,46,1942

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 1400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 56,346,1906

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 710 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 39(4),86,1974 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 ppm/8H/2W-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - other changes Related to Chronic Data - death

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 24,46,1942

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 500 ppm/8H/2W-I

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 24,46,1942 *** REVIEWS *** ACGIH TLV-STEL 100 mg/m3 (25 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 60 mg/m3 (15 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 25 ppm (100 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: 3,152,1971 OSHA PEL (Gen Indu):8H TWA 25 ppm (100 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 25 ppm (100 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 25 ppm (100 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 25 ppm (100 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-AUSTRALIA:TWA 15 ppm (60 mg/m3);STEL 25 ppm (100 mg/m3) JAN 1993 OEL-BELGIUM:TWA 15 ppm (60 mg/m3);STEL 25 ppm (100 mg/m3) JAN 1993 OEL-DENMARK:TWA 10 ppm (40 mg/m3) JAN 1993 OEL-FINLAND:TWA 25 ppm (100 mg/m3);STEL 75 ppm (300 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 15 ppm (60 mg/m3) JAN 1993 OEL-GERMANY:TWA 25 ppm (100 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 15 ppm (60 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 25 ppm (100 mg/m3) JAN 1993 OEL-POLAND:TWA 20 mg/m3 JAN 1993 OEL-RUSSIA:STEL 1 mg/m3;Skin JAN 1993 OEL-SWITZERLAND:TWA 15 ppm (60 mg/m3) JAN 1993 OEL-TURKEY:TWA 25 ppm (100 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 15 ppm (60 mg/m3);STEL 25 ppm (100 mg/m3) 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 MESITYL OXIDE-air:10H TWA 10 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 - 45360 No. of Facilities: 1062 (estimated) No. of Industries: 9 No. of Occupations: 12 No. of Employees: 6484 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 45360 No. of Facilities: 23 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 362 (estimated) No. of Female Employees: 34 (estimated)

异丙叉丙酮安全信息

[ 符号 ]:

GHS02, GHS06

[ 信号词 ]:
Danger

[ 危害声明 ]:
H226-H302 + H312-H315-H319-H331-H335

[ 警示性声明 ]:
P261-P280-P305 + P351 + P338-P311

[ 个人防护装备 ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ 危害码 (欧洲) ]:
Xn:Harmful

[ 风险声明 (欧洲) ]:
R10;R20/21/22

[ 安全声明 (欧洲) ]:
S25

[ 危险品运输编码 ]:
UN 1229 3/PG 3

[ WGK德国 ]:
1

[ RTECS号 ]:
SB4200000

[ 包装等级 ]:
III

[ 危险类别 ]:
3

[ 海关编码 ]:
2914190090

异丙叉丙酮合成路线

异丙叉丙酮上下游产品

异丙叉丙酮上游产品

异丙叉丙酮下游产品

异丙叉丙酮制备

1.丙酮在氢氧化钠存在下缩合成二丙酮醇，二丙酮醇在磷酸存在下脱水，经分馏收集126-131℃的粗制品，再进行精馏，收集128-132℃馏分而得成品。1t产品约消耗二丙酮醇1200kg。

精制方法：亚异丙基丙酮由双丙酮醇脱水制得。由于化学性活泼，常含有酸性物质、缩聚物等杂质。一般精制方法是用无水硫酸钠干燥后精馏。

制法：

双丙酮醇（3）：于索氏提取器中，加入丙酮（2）660mL（9mol），于索氏提取器的提取管中用滤纸包好氢氧化钡，水浴加热回流提取100h。改为蒸馏装置，先蒸出丙酮，而后减压蒸馏，收集62～64℃/1.75kPa的馏分，得双丙酮醇（3）370～410g，收率68%～74%。异亚丙基丙酮（1）：于装有分馏装置的圆底烧瓶中，加入双丙酮醇（3）350g（6mol），0.1g碘，几粒沸石，油浴加热进行蒸馏。收集如下各馏分：85℃以下的馏分（含丙酮及少量的异亚丙基丙酮）；85～126℃的馏分（含水及异亚丙基丙酮，静置后可分层，下层为水）；126～130℃的馏分（异亚丙基丙酮）。中间馏分分出水后用无水碳酸钾干燥，与第三种馏分合并后，重新蒸馏，收集127～129℃的馏分，得异亚丙基丙酮。第一馏分用无水碳酸钾干燥后重新蒸馏，可得少量的异亚丙基丙酮。共得异亚丙基丙酮（1）250～280g，收率85%～95%。

异丙叉丙酮海关

[ 海关编码 ]: 2914190090

[ 中文概述 ]:
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

[ 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%

异丙叉丙酮文献

Synthesis of modified homo-N-nucleosides from the reactions of mesityl nitrile oxide with 9-allylpurines and their influence on lipid peroxidation and thrombin inhibition

Bioorg. Med. Chem. Lett. 19 , 6433-6, (2009)

The synthesized compounds act as lipid peroxidation inhibitors and potent thrombin inhibitors.

The strongest isolable acid.

Angew. Chem. Int. Ed. Engl. 43(40) , 5352-5, (2004)

Preparation and evaluation of an imidazole-coated capillary column for the electrophoretic separation of aromatic acids.

J. Chromatogr. A. 897(1-2) , 383-92, (2000)

An imidazole-coated capillary column for electrophoresis has been prepared by means of organosilanization. With mesityl oxide as neutral marker, the results indicated that the electroosmotic flow of t...

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