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5-羟基-2-戊酮 (单体和二聚体的混合物)

5-羟基-2-戊酮 (单体和二聚体的混合物)用途

【用途一】
用于医药工业，也用作磷酸氯喹中间体
【用途二】
医药中间体，主要用于抗疟药氯喹磷酸盐。也可用于生产维生素B1等。
【用途三】
医药中间体，主要用于抗疟药氯喹磷酸盐,也可用于生产维生素B1等。

5-羟基-2-戊酮 (单体和二聚体的混合物)名称

[ CAS 号 ]:
1071-73-4

[ 中文名 ]:
5-羟基-2-戊酮

[ 英文名 ]:
3-Acetyl-1-propanol

[中文别名 ]:

[英文别名 ]:

2-Pentanone, 5-hydroxy-
EINECS 213-994-8
γ-Acetopropanol
MFCD00002961
5-hydroxypentan-2-one
γ-Acetylpropyl alcohol
5-Hydroxy-2-pentanone
γ-Acetopropyl alcohol
3-Acetyl-1-propanol

5-羟基-2-戊酮 (单体和二聚体的混合物)物理化学性质

[ 密度 ]:
1.0±0.1 g/cm3

[ 沸点 ]:
204.0±23.0 °C at 760 mmHg

[ 分子式 ]:
C₅H₁₀O₂

[ 分子量 ]:
102.132

[ 闪点 ]:
93.3±0.0 °C

[ 精确质量 ]:
102.068077

[ PSA ]:
37.30000

[ LogP ]:
-0.57

[ 外观性状 ]:
透明无色液体

[ 蒸汽压 ]:
0.1±0.9 mmHg at 25°C

[ 折射率 ]:
1.421

[ 储存条件 ]:
包装完整、轻装轻卸,库房通风、远离明火、高温、与氧化剂分开存放

5-羟基-2-戊酮 (单体和二聚体的混合物)MSDS

5-羟基-2-戊酮 (单体和二聚体的混合物)毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UA4600000

CHEMICAL NAME :: Propanol, 3-acetyl-

CAS REGISTRY NUMBER :: 1071-73-4

BEILSTEIN REFERENCE NO. :: 1740387

LAST UPDATED :: 199612

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C5-H10-O2

MOLECULAR WEIGHT :: 102.15

WISWESSER LINE NOTATION :: Q3V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6400 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - excitement Vascular - other changes

REFERENCE :: TNICS* Toxicology of New Industrial Chemical Substances. English translation of TPKVAL. (USSR Academy of Medical Sciences, Meditsina, Moscow, USSR) Volume(issue)/page/year: 13,118,1973

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >2 gm/m3/4H

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

REFERENCE :: TNICS* Toxicology of New Industrial Chemical Substances. English translation of TPKVAL. (USSR Academy of Medical Sciences, Meditsina, Moscow, USSR) Volume(issue)/page/year: 13,118,1973

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1960 mg/kg

TOXIC EFFECTS :: Liver - hepatitis (hepatocellular necrosis), diffuse Gastrointestinal - other changes

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 43(8),103,1978

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2 gm/m3/4H

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

REFERENCE :: TNICS* Toxicology of New Industrial Chemical Substances. English translation of TPKVAL. (USSR Academy of Medical Sciences, Meditsina, Moscow, USSR) Volume(issue)/page/year: 13,118,1973

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3500 mg/kg

TOXIC EFFECTS :: Liver - hepatitis (hepatocellular necrosis), diffuse Gastrointestinal - other changes

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 43(8),103,1978

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 2260 mg/kg

TOXIC EFFECTS :: Liver - hepatitis (hepatocellular necrosis), diffuse Gastrointestinal - other changes

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 43(8),103,1978 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 231 mg/m3/17W-I

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Liver - liver function tests impaired Kidney, Ureter, Bladder - other changes in urine composition

REFERENCE :: TNICS* Toxicology of New Industrial Chemical Substances. English translation of TPKVAL. (USSR Academy of Medical Sciences, Meditsina, Moscow, USSR) Volume(issue)/page/year: 13,118,1973

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 6370 mg/kg/26W-I

TOXIC EFFECTS :: Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 43(8),103,1978 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 10 mg/m3 JAN 1993

5-羟基-2-戊酮 (单体和二聚体的混合物)安全信息

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

[ 危害码 (欧洲) ]:
Xi:Irritant;

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
S37/39-S26

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
2

[ RTECS号 ]:
UA4600000

[ 海关编码 ]:
2914400090

5-羟基-2-戊酮 (单体和二聚体的混合物)合成路线

5-羟基-2-戊酮 (单体和二聚体的混合物)上下游产品

5-羟基-2-戊酮 (单体和二聚体的混合物)上游产品

5-羟基-2-戊酮 (单体和二聚体的混合物)下游产品

5-羟基-2-戊酮 (单体和二聚体的混合物)制备

(1)由γ-丁内酯和乙酸在350-390℃及催化剂存在下反应而得。反应器内温为390℃，物料摩尔比为γ-丁内酯：乙酸：水=1：2：0.5，原料投料速度为0.4L/h升催化剂，催化剂为经苛性钠水溶液浸润的氧化铝，反应时间为153h。转化率60%-64%，选择性为71%-80%。

(2)在氯化钯催化剂存在下，2-甲基呋喃在酸性水溶液中氢解而得。工艺过程如下：在氢化罐内，依次投入水，2-甲基呋喃，2-甲基四氢呋喃。氯化钯盐酸溶液(重要配比为2-甲基呋喃：2-甲基四氢呋喃：氯钯：盐酸=1:0.33:0.001:0.0042)，密闭，排除空气。搅拌通氢,控制温度在18-24℃，压力为,47.5-237.5kPa，直至不吸氢为止(反应中途吸氢量下降,可补加氯化钯王水溶液)。用氢量为每公斤2-甲基呋喃6.039m3。.反应结束后滤去钯泥，滤液用碳酸钠中和至pH=6-7。过滤，滤液蒸发馏回收2-甲基四氢呋喃，收集内温160℃以下馏分,得乙酰丙醇。如果滤液减压蒸馏,回收2-甲基四氢呋喃至内温135℃/21.3kPa，降温出料，得乙酰丙醇，工业级产品纯度90%以上。原料消耗定额：2-甲基呋喃（>90%）1200kg/t、氢气（>90%）660kg/t、盐酸（工业品）12kg/t、氯化钯（含钯>59%）0.2kg/t。

5-羟基-2-戊酮 (单体和二聚体的混合物)海关

[ 海关编码 ]: 2914400090

[ 中文概述 ]:
2914400090 其他酮醇及酮醛。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 ]:
2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

5-羟基-2-戊酮 (单体和二聚体的混合物)文献

[Hygienic rationale for maximum permissible concentration of acetopropyl alcohol in atmospheric air].

Gig. Sanit. (9) , 4-5, (1993)

Toxic properties of acetopropyl alcohol were studied. Symptoms of CNS damages predominated in toxicodynamics. A maximal single concentration is 0.2 mg/m3 (4th class of danger).

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