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3-戊酮

3-戊酮用途

【用途一】
用作溶剂，也是药物合成的中间体
【用途二】
用作溶剂，也用于制药工业
【用途三】
3-戊酮是除草剂二甲戊乐的中间体。
【用途四】
用作溶剂、药物中间体、化学试剂及有机合成原料。

3-戊酮名称

[ CAS 号 ]:
96-22-0

[ 中文名 ]:
二乙基酮

[ 英文名 ]:
3-Pentanone

[中文别名 ]:

[英文别名 ]:

dimethyl acetal of 3-hydroxyisovaleric aldehyde
PENTANONE (3-) (AKA DEK)
DIETHYL KETONE FOR SYNTHESIS
2-Butanol,4,4-dimethoxy-2-methyl
3-hydroxy-3-methylbutanal dimethyl acetal
dimethylacetal of 3-methyl-3-hydroxy butyraldehyde
EINECS 202-490-3
DIETHYL KETONE (3-PENTANONE)
ethyl ketone
3-PENTANON

3-戊酮物理化学性质

[ 密度 ]:
0.8±0.1 g/cm3

[ 沸点 ]:
101.0±3.0 °C at 760 mmHg

[ 熔点 ]:
-40 °C

[ 分子式 ]:
C₅H₁₀O

[ 分子量 ]:
86.132

[ 闪点 ]:
12.8±0.0 °C

[ 精确质量 ]:
86.073166

[ PSA ]:
17.07000

[ LogP ]:
0.90

[ 外观性状 ]:
无色至淡黄色液体

[ 蒸汽密度 ]:
3 (vs air)

[ 蒸汽压 ]:
35.8±0.2 mmHg at 25°C

[ 折射率 ]:
1.383

[ 储存条件 ]:
库房通风低温干燥,与氧化剂分开存放

[ 稳定性 ]:
Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with strong bases, reducing agents, strong oxidizing agents.

[ 水溶解性 ]:
50 g/L (20 ºC)

3-戊酮MSDS

3-戊酮毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SA8050000

CHEMICAL NAME :: 3-Pentanone

CAS REGISTRY NUMBER :: 96-22-0

LAST UPDATED :: 199806

DATA ITEMS CITED :: 26

MOLECULAR FORMULA :: C5-H10-O

MOLECULAR WEIGHT :: 86.15

WISWESSER LINE NOTATION :: 2V2

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 :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2140 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 :: 8000 ppm/4H

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1250 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 :: 3100 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - ataxia

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 513 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 :: 20 mL/kg

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-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 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 200 ppm (705 mg/m3) JAN 1993 OEL-BELGIUM:TWA 200 ppm (705 mg/m3) JAN 1993 OEL-DENMARK:TWA 200 ppm (700 mg/m3) JAN 1993 OEL-FRANCE:TWA 200 ppm (705 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 200 ppm (705 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 200 ppm (705 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 DIETHYL KETONE-air:10H TWA 200 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

3-戊酮安全信息

[ 符号 ]:

GHS02, GHS07

[ 信号词 ]:
Danger

[ 危害声明 ]:
H225-H319-H335-H336

[ 补充危害声明 ]:
Repeated exposure may cause skin dryness or cracking.

[ 警示性声明 ]:
P210-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;R37;R66;R67

[ 安全声明 (欧洲) ]:
S9-S16-S25-S33

[ 危险品运输编码 ]:
UN 1156 3/PG 2

[ WGK德国 ]:
1

[ RTECS号 ]:
SA8050000

[ 包装等级 ]:
II

[ 危险类别 ]:
3

[ 海关编码 ]:
2914190090

3-戊酮合成路线

3-戊酮上下游产品

3-戊酮上游产品

3-戊酮下游产品

3-戊酮制备

1.由3-戊醇氧化而得。氧化反应在90℃进行，反应后进行过滤，然后分馏收集101-104℃馏分，即为成品。

2.其制备方法是由3-戊醇氧化而得，常用重铬酸钠在硫酸存在下氧化，氧化温度90℃，反应完成后，经蒸馏而得成品。

精制方法：用氧化钡或硫酸钙干燥后蒸馏。也可以用氯化钙回流2小时后，加入新鲜氯化钙放置过夜，过滤后蒸馏。高纯度3-戊酮可用理论塔板数为100的蒸馏塔，在93.33KPa、回流比100：1的情况下精馏，馏出物分步结晶，再加氢氧化钙进行再蒸馏，纯度可达99.95%±0.01%。

3.制法：

碳酸锰-浮石催化剂的制备：将四水合氯化锰70g（0.35mol）溶于100mL水中，搅拌下慢慢加入由无水碳酸钠38g（0.35mol）溶于120mL水配成的溶液。过滤生成的碳酸锰沉淀，充分水洗。将固体物转移至大的蒸发皿中，加入适量的水调至黏稠状。加入适量浮石（4～8目），搅拌下使大部分的黏稠物附着于浮石上。2-戊酮（1）：将上述催化剂氮气保护下于加热管中360～400℃加热8h，使碳酸锰转化为氧化锰。于350～400℃将重新蒸馏过的丙酸（2）740g（10mL）由滴液漏斗滴加至催化剂上，滴加速度约30滴/min。约48～72h加完。镏出液分出两层。分出有机层，水层用固体碳酸钾饱和，分出有机层。合并有机层，用固体碳酸钾处理以除去可能存在的酸和水。过滤，分馏，收集101～103℃的馏分，得3-戊酮（1）250g。收率29%。

3-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%

3-戊酮文献

Effect of different chemical bonds in pegylation of zinc protoporphyrin that affects drug release, intracellular uptake, and therapeutic effect in the tumor.

Eur. J. Pharm. Biopharm. 89 , 259-70, (2015)

Pegylated zinc protoporphyrin (PEG-ZnPP) is a water-soluble inhibitor of heme oxygenase-1. In this study, we prepared two types of PEG-ZnPP conjugates with different chemical bonds between PEG and ZnP...

Bioremoval of diethylketone by the synergistic combination of microorganisms and clays: uptake, removal and kinetic studies.

Environ. Sci. Pollut. Res. Int. 20(3) , 1374-83, (2013)

The performance of two bacteria, Arthrobacter viscosus and Streptococcus equisimilis, and the effect of the interaction of these bacteria with four different clays on the retention of diethylketone we...

Anticonvulsant effects of methyl ethyl ketone and diethyl ketone in several types of mouse seizure models.

Eur. J. Pharmacol. 642(1-3) , 66-71, (2010)

The anticonvulsant effects of acetone have been reported in various animal models of epilepsy. We recently demonstrated that other ketone bodies, methyl ethyl ketone (MEK) and diethyl ketone (DEK), su...

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