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2-辛酮

2-辛酮用途

【用途一】
用于纤维、医药、农药、香料化工等领域，用作合成纤维油剂、消沫剂及制取表面活性剂，煤矿用浮选剂等
【用途二】
GB 2760--1996规定为允许使用的食用香料。

2-辛酮名称

[ CAS 号 ]:
111-13-7

[ 中文名 ]:
仲辛酮

[ 英文名 ]:
2-Octanone

[中文别名 ]:

[英文别名 ]:

methoxyhexane
Methyl hexyl ether
2-Oxooctane
Ether,hexyl methyl
methyl n-hexyl ketone
n-Hexyl Methyl Ether
n-Hexyl methyl ketone
EINECS 203-837-1
UNII-J2G84H29AF
1-methoxy-hexane

2-辛酮物理化学性质

[ 密度 ]:
0.8±0.1 g/cm3

[ 沸点 ]:
173.1±3.0 °C at 760 mmHg

[ 熔点 ]:
-16 °C

[ 分子式 ]:
C₈H₁₆O

[ 分子量 ]:
128.212

[ 闪点 ]:
62.8±0.0 °C

[ 精确质量 ]:
128.120117

[ PSA ]:
17.07000

[ LogP ]:
2.50

[ 外观性状 ]:
无色液体

[ 蒸汽压 ]:
1.7±0.3 mmHg at 25°C

[ 折射率 ]:
1.411

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

[ 稳定性 ]:
Stable. Incompatible with strong oxidizing agents. Flammable.

[ 水溶解性 ]:
0.9 g/L

2-辛酮MSDS

2-辛酮毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RH1484000

CHEMICAL NAME :: 2-Octanone

CAS REGISTRY NUMBER :: 111-13-7

BEILSTEIN REFERENCE NO. :: 0635843

LAST UPDATED :: 199710

DATA ITEMS CITED :: 14

MOLECULAR FORMULA :: C8-H16-O

MOLECULAR WEIGHT :: 128.24

WISWESSER LINE NOTATION :: 6V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,861,1975 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3089 mg/kg

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

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: #901875

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

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >2132 ppm/6H

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

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: #901875

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

REFERENCE :: 38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4765,1982

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3824 mg/kg

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

REFERENCE :: TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 30,13,1986

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 800 mg/kg

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

REFERENCE :: 38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4765,1982

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

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1600 mg/kg

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

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,1257,1976

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1337 mg/kg

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

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: #901875 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 1 gm/kg

SEX/DURATION :: female 1-20 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,1024,1975 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 200 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5067 No. of Facilities: 1222 (estimated) No. of Industries: 11 No. of Occupations: 38 No. of Employees: 18681 (estimated) No. of Female Employees: 6443 (estimated)

2-辛酮安全信息

[ 符号 ]:

GHS02, GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H226-H312

[ 警示性声明 ]:
P280

[ 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;R21

[ 安全声明 (欧洲) ]:
S36/37-S16

[ 危险品运输编码 ]:
UN 1224 3/PG 3

[ WGK德国 ]:
1

[ RTECS号 ]:
RH1484000

[ 包装等级 ]:
I; II; III

[ 危险类别 ]:
3.0

[ 海关编码 ]:
29141990

2-辛酮合成路线

2-辛酮上下游产品

2-辛酮上游产品

2-辛酮下游产品

2-辛酮制备

1.由蓖麻油裂解产物仲辛醇经氧化而成。

2.制法：

于装有搅拌器、温度计、回流冷凝器、滴液漏斗的反应瓶中，加入2-辛醇（2）65g（0.5mol），乙醚200mL，冰水浴冷却。滴加250mL铬酸溶液^①，保持反应温度在25～30℃，约20min加完。而后于室温继续搅拌反应2h。分出乙醚层，水层用乙醚提取（80mL×4），合并乙醚层，依次用饱和碳酸氢钠、饱和氯化钠溶液洗涤，无水硫酸钠干燥。蒸出乙醚。而后常压蒸馏，收集170～172℃的馏分，得到2-辛酮（1）53g，收率81%。铬酸溶液可按如下方法来配制：100g（0.33mol）二水合重铬酸钠溶于300mL水中，慢慢加入73mL硫酸（98%），冷后用水稀释到500mL。

^3.制法：

于装有搅拌器、回流冷凝器的反应瓶中，加入甲酸100mL，辛炔-1（2）7.5g，油浴加热，于100℃搅拌反应直至起始原料基本反应完。反应过程中用气相色谱跟踪反应。反应约6h时气相色谱定量分析表明生成92%的2-辛酮。冷却，二氯甲烷提取，依次用水、碳酸钠溶液、水洗涤，无水硫酸镁干燥。过滤，减压浓缩后蒸馏，收集171～173℃的馏分，得化合物（1）7.42g，收率85%。

2-辛酮海关

[ 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%

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