2-戊酮

2-戊酮用途

【用途一】
用作溶剂、有机合成中间体
【用途二】
GB 2760--1996规定为允许使用的香料。主要用以配制香蕉、菠萝、什锦水果等型香精。
【用途三】
该品是润滑油的优良脱蜡剂，也用作硝基喷漆、合成树脂涂料的溶剂以及有机合成的中间体。还用作萃取剂。
【用途四】
有机溶剂，萃取剂。

2-戊酮名称

[ CAS 号 ]:
107-87-9

[ 中文名 ]:
2-戊酮

[ 英文名 ]:
Pentan-2-one

[中文别名 ]:

[英文别名 ]:

CH3COCH2CH2CH3
Methyl N-Propargylanthranilate
2-Pentanone
n-propyl methyl ketone
Methyl propyl ketone
EINECS 203-528-1
MFCD00009400
methyl n-propyl ketone
pentanone

2-戊酮物理化学性质

[ 密度 ]:
0.8±0.1 g/cm3

[ 沸点 ]:
102.7±3.0 °C at 760 mmHg

[ 熔点 ]:
-78 °C

[ 分子式 ]:
C₅H₁₀O

[ 分子量 ]:
86.132

[ 闪点 ]:
7.2±0.0 °C

[ 精确质量 ]:
86.073166

[ PSA ]:
17.07000

[ LogP ]:
0.90

[ 外观性状 ]:
透明无色液体带有指甲油的气味

[ 蒸汽压 ]:
38.6±0.2 mmHg at 25°C

[ 折射率 ]:
1.383

[ 储存条件 ]:
储存在阴凉、通风良好区，远离热、引火源及不兼容物,当转装5加仑以上物质时，金属容器须接地

[ 稳定性 ]:
Stable. Highly flammable - note low flashpoint. Incompatible with strong bases, oxidizing agents, reducing agents.

[ 水溶解性 ]:
43 g/L (20 ºC)

2-戊酮MSDS

2-戊酮毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SA7875000

CHEMICAL NAME :: 2-Pentanone

CAS REGISTRY NUMBER :: 107-87-9

BEILSTEIN REFERENCE NO. :: 0506058

LAST UPDATED :: 199712

DATA ITEMS CITED :: 41

MOLECULAR FORMULA :: C5-H10-O

MOLECULAR WEIGHT :: 86.15

WISWESSER LINE NOTATION :: 3V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Human

DOSE/DURATION :: 1500 ppm

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - headache Gastrointestinal - nausea or vomiting

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1600 mg/kg

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

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2000 ppm/4H

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

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 800 mg/kg

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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1600 mg/kg

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

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1600 mg/kg

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

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 6500 mg/kg

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

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 13000 ppm/5H

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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 3700 mg/kg

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

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

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 22 gm/m3

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

MUTATION DATA

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TEST SYSTEM :: Yeast - Saccharomyces cerevisiae

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 149,339,1985 *** REVIEWS *** ACGIH TLV-STEL 881 mg/m3 (250 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 705 mg/m3 (200 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 200 ppm (700 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: 3,200,1971 OSHA PEL (Gen Indu):8H TWA 200 ppm (700 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 200 ppm (700 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 200 ppm (700 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 200 ppm (700 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 200 ppm (700 mg/m3);STEL 250 ppm (875 mg/m3) JAN 1993 OEL-BELGIUM:TWA 200 ppm (705 mg/m3);STEL 250 ppm (881 mg/m3) JAN 1993 OEL-DENMARK:TWA 200 ppm (700 mg/m3) JAN 1993 OEL-FINLAND:TWA 200 ppm (700 mg/m3);STEL 250 ppm (875 mg/m3) JAN 1993 OEL-FRANCE:TWA 200 ppm (700 mg/m3) JAN 1993 OEL-GERMANY:TWA 200 ppm (700 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 200 ppm (700 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 200 ppm (700 mg/m3) JAN 1993 OEL-POLAND:TWA 100 mg/m3 JAN 1993 OEL-RUSSIA:STEL 200 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 200 ppm (700 mg/m3);STEL 400 ppm JAN 1993 OEL-TURKEY:TWA 200 ppm (700 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 200 ppm (700 mg/m3);STEL 250 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 METHYL PROPYL KETONE-air:10H TWA 150 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 - 54480 No. of Facilities: 39 (estimated) No. of Industries: 4 No. of Occupations: 11 No. of Employees: 789 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 54480 No. of Facilities: 930 (estimated) No. of Industries: 17 No. of Occupations: 13 No. of Employees: 8218 (estimated) No. of Female Employees: 1129 (estimated)

2-戊酮安全信息

[ 符号 ]:

GHS02, GHS07

[ 信号词 ]:
Danger

[ 危害声明 ]:
H225-H302-H319

[ 警示性声明 ]:
P210-P301 + P312 + P330-P305 + P351 + P338-P370 + P378-P403 + P235

[ 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) ]:
F:Flammable

[ 风险声明 (欧洲) ]:
R11;R22;R36/37/38

[ 安全声明 (欧洲) ]:
S9-S16-S29-S33-S37/39-S26

[ 危险品运输编码 ]:
UN 1249 3/PG 2

[ WGK德国 ]:
1

[ RTECS号 ]:
SA7875000

[ 包装等级 ]:
II

[ 危险类别 ]:
3

[ 海关编码 ]:
2942000000

2-戊酮合成路线

2-戊酮上下游产品

2-戊酮上游产品

2-戊酮下游产品

2-戊酮制备

精制方法：用氧化钡干燥后用1m长的分馏柱分馏，馏出物再用亚硫酸氢钠处理精制。也可以用理论塔板数为100的蒸馏塔，在101.3KPa，回流比100：1的情况下进行精馏，馏出物与水进行共沸蒸馏，然后用无水硫酸钙干燥，再蒸馏，即可得纯度为99.93%±0.01%的纯品。

1.由2-仲戊醇脱氢而得。

2.由丁酰乙酸乙酯与水共热而得。

3.制法：

参照上述3-戊酮的制备方法（参考书335），用正丁酸（2）176g（2.0mol）和冰醋酸360g（6.0mol）进行反应，得到2-戊酮（1）75g，bp102～104℃，收率43%。得到丙酮75g，bp56～57℃。

^4.制法：

于装有磁力搅拌器，回流冷凝器、滴液漏斗、通气导管的干燥的反应瓶中，加入金属钠3.9g（0.1mol），通入干燥的氮气，室温下进入2,6-二叔丁基苯酚24.7g（120mmol）溶于200mL干燥的THF的溶液。随后反应剧烈进行，回流1h以使反应完全。冷至0℃，加入三乙基硼14.2mL（100mmol）。滴加溴代丙酮（2）13.7g（100mmol）溶于50mLTHF的溶液，搅拌反应30min，升至室温，加入25mL乙醇，分离产物。气液分配色谱法分析证明，收率88%。分馏，收集101～102℃的馏分，得化合物（1）6.0g，收率70%。

2-戊酮海关

[ 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%

2-戊酮文献

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

J. Med. Chem. 48 , 3269-79, (2005)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...

Evaluation of injection methods for fast, high peak capacity separations with low thermal mass gas chromatography.

J. Chromatogr. A. 1392 , 82-90, (2015)

Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct ...

Development of a standard gas generating vial comprised of a silicon oil-polystyrene/divinylbenzene composite sorbent.

J. Chromatogr. A. 1410 , 1-8, (2015)

In this work, a highly reproducible standard gas generating vial is proposed. The vial is comprised of a silicon diffusion pump oil spiked with an appropriate calibration compound, such as modified Mc...

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