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3-己酮

3-己酮用途

【用途一】
食品用香料。主要用于配制葡萄酒等果酒香精及肉类香精。
【用途二】
是有机合成重要原料，也用于食品工业。

3-己酮名称

[ CAS 号 ]:
589-38-8

[ 中文名 ]:
3-己酮

[ 英文名 ]:
3-Hexanone

[中文别名 ]:

[英文别名 ]:

diethylacetamine
hexan-3-one
ethyl n-propyl ketone
ethyl N-pivaloylbenzimidate
ethyl propyl ketone
methylpentan-2-one
mono-diethylacetal
EINECS 209-645-4
3-Hexanone
MFCD00009402

3-己酮物理化学性质

[ 密度 ]:
0.8±0.1 g/cm3

[ 沸点 ]:
125.5±3.0 °C at 760 mmHg

[ 熔点 ]:
-55°C

[ 分子式 ]:
C₆H₁₂O

[ 分子量 ]:
100.159

[ 闪点 ]:
35.0±0.0 °C

[ 精确质量 ]:
100.088814

[ PSA ]:
17.07000

[ LogP ]:
1.44

[ 外观性状 ]:
无色液体

[ 蒸汽压 ]:
12.1±0.2 mmHg at 25°C

[ 折射率 ]:
1.395

[ 储存条件 ]:
库房通风低温干燥,与氧化剂分开存放

[ 稳定性 ]:
Stable, but may form peroxides on prolonged storage. Flammable. Incompatible with oxidizing agents, reducing agents, strong bases.

3-己酮MSDS

3-己酮毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MP1575000

CHEMICAL NAME :: 3-Hexanone

CAS REGISTRY NUMBER :: 589-38-8

BEILSTEIN REFERENCE NO. :: 1738025

LAST UPDATED :: 199710

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C6-H12-O

MOLECULAR WEIGHT :: 100.18

WISWESSER LINE NOTATION :: 2V3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,284,1986

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,284,1986 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3360 uL/kg

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

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4000 ppm/4H

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

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3170 uL/kg

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

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 700 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage)

REFERENCE :: BDKS** "Studien uber die Pharmakologie des Pinakolins und einiger seiner Derivate mit besonderer Berucksichtigung der Kreislaufwirkung, Dissertation," Bang, L., Pharmakologischen Abteilung des Karolinischen Instituts, Stockholm, Sweden, 1934 Volume(issue)/page/year: -,-,1934

3-己酮安全信息

[ 符号 ]:

GHS02, GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H226-H315-H319-H335

[ 警示性声明 ]:
P261-P305 + P351 + P338

[ 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;Xi:Irritant;

[ 风险声明 (欧洲) ]:
R11;R36/37/38

[ 安全声明 (欧洲) ]:
S26-S36-S16-S9

[ 危险品运输编码 ]:
UN 1224 3/PG 3

[ WGK德国 ]:
3

[ RTECS号 ]:
MP1575000

[ 包装等级 ]:
III

[ 危险类别 ]:
3

3-己酮合成路线

3-己酮制备

1.制法：

于0.5L反应瓶中，加入3-己炔（2）28.7g（0.35mol），100mL（1.00mol/L）的硼氢化钠-二甘醇二甲醚溶液。搅拌下加入0.135mol的三氟化硼-乙醚溶液，生成不饱和有机硼化合物。慢慢加入30%的过氧化氢36mL，保持反应液PH在8左右。反应结束后，乙醚提取，无水硫酸镁干燥，蒸出乙醚，收集120～121℃的馏分或118℃/99.1kPa的馏分，得化合物（1）23.8g，收率62%，nD²⁰1.4004～1.4007。

2.制法：

参照上述3-戊酮的制备方法（参考书335），用正丁酸（2）352g（4mol）和丙酸296（6mol）进行反应，得到3-己酮（1）214g，bp122～124℃，收率53%。同时副产物得到3-戊酮98g，bp100～102℃和4-庚酮66g，bp144～146℃。

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