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苯乙酮

苯乙酮用途

Acetophenone 是一种结构简单的有机物。

苯乙酮名称

[ CAS 号 ]:
98-86-2

[ 中文名 ]:
苯乙酮

[ 英文名 ]:
Acetophenone

[中文别名 ]:

[英文别名 ]:

Ethanone,1-phenyl
Oxophenylethane
Acetophenon
Phenyl methyl ketone
Ethanone, 1-phenyl-
1VR
Benzene, acetyl-
1-Phenylethanone
MFCD00008724
EINECS 202-708-7

苯乙酮生物活性

[ 描述 ]:

Acetophenone 是一种结构简单的有机物。

[ 相关类别 ]:

研究领域 >> 其他

信号通路 >> 其他 >> 其他

[参考文献]

[1]. Żymańczyk-Duda E, et al. Reductive capabilities of different cyanobacterial strains towards acetophenone as a model substrate - Prospect of applications for chiral building blocks synthesis. Bioorg Chem. 2019 Feb 25. pii: S0045-2068(18)31467-6.

苯乙酮物理化学性质

[ 密度 ]:
1.0±0.1 g/cm3

[ 沸点 ]:
202.0±0.0 °C at 760 mmHg

[ 熔点 ]:
19.6ºC

[ 分子式 ]:
C₈H₈O

[ 分子量 ]:
120.148

[ 闪点 ]:
82.2±0.0 °C

[ 精确质量 ]:
120.057518

[ PSA ]:
17.07000

[ LogP ]:
1.66

[ 外观性状 ]:
透明至淡黄色液体

[ 蒸汽密度 ]:
4.1 (vs air)

[ 蒸汽压 ]:
0.3±0.4 mmHg at 25°C

[ 折射率 ]:
1.512

[ 储存条件 ]:
库房通风低温干燥

[ 稳定性 ]:
Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Combustible.

[ 水溶解性 ]:
5.5 g/L (20 ºC)

苯乙酮MSDS

详细MSDS(安全技术说明书)

苯乙酮毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM5250000

CHEMICAL NAME :: Acetophenone

CAS REGISTRY NUMBER :: 98-86-2

LAST UPDATED :: 199712

DATA ITEMS CITED :: 22

MOLECULAR FORMULA :: C8-H8-O

MOLECULAR WEIGHT :: 120.16

WISWESSER LINE NOTATION :: 1VR

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 :: Open irritation 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 :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 815 mg/kg

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

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >210 ppm/8H

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 :: 740 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 :: 200 mg/kg

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 330 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 15900 uL/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 - guinea pig

DOSE/DURATION :: >20 mL/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 :: Mammal - species unspecified

DOSE/DURATION :: 2700 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 :: 1200 mg/m3

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

MUTATION DATA

TYPE OF TEST :: Cytogenetic analysis

TEST SYSTEM :: Rodent - hamster Lung

DOSE/DURATION :: 600 mg/L

REFERENCE :: ESKHA5 Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu, Setagaya-ku, Tokyo 158, Japan) V.1- 1886- Volume(issue)/page/year: (103),64,1985 *** REVIEWS *** ACGIH TLV-TWA 49 mg/m3 (10 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-HUNGARY:TWA 15 mg/m3;STEL 30 mg/m3;Skin JAN 1993 OEL-RUSSIA:STEL 5 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80265 No. of Facilities: 4433 (estimated) No. of Industries: 48 No. of Occupations: 61 No. of Employees: 78624 (estimated) No. of Female Employees: 31148 (estimated)

苯乙酮安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H302-H319

[ 警示性声明 ]:
P305 + P351 + P338

[ 靶器官 ]:
Blood, Central nervous system, Liver

[ 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) ]:
R22;R36

[ 安全声明 (欧洲) ]:
S26

[ 危险品运输编码 ]:
UN 1593 6.1/PG 3

[ WGK德国 ]:
1

[ RTECS号 ]:
AM5250000

[ 包装等级 ]:
I; II; III

[ 海关编码 ]:
2914391000

苯乙酮上下游产品

苯乙酮上游产品

苯乙酮下游产品

苯乙酮制备

1、在三氯化铝催化下，由苯与乙酰氯、乙酐或乙酸反应，可制得苯乙酮。另外，乙苯催化氧化为苯乙烯时，副产苯乙酮。工业级苯乙酮主要杂质有α-甲基苄醇，苯酚，酸性物质，和水等，精制用氯化钙或硫酸干燥后减压分馏。或在避免光照和湿气的情况下，从熔融状态分步结晶精制，也可用戊烷在低温结晶精制。原料消耗定额：苯甲酸1130kg/t、乙酸555kg/t。

2、由苯甲酸钙与醋酸钙共同蒸馏而得。
苯和乙酰氯在氯化铝存在下反应而得。
由乙基苯氧化而得。

精制方法：主要杂质有α-甲基苄醇、苯酚、酸性物质和水等。一般的精制方法是用氯化钙或硫酸钙干燥后减压分馏。或在防止光照和湿气的情况下，从其熔融状态分步结晶精制。也可用异戊烷在低温结晶精制。与其他液体混在一起的苯乙酮，一般用水蒸气蒸馏后再分馏的方法回收。

3.在搅拌下，慢慢地将重蒸过的乙酐加到经过精制的无水苯（过量）与无水三氯化铝中进行反应：

当产生的氯化氢气体不再逸出后，水浴加热30min，使反应完全。稍加冷却后，倒入浓盐酸和碎冰的混合物中，使铝盐完全溶解，然后加入乙醚，静置分层，水层用乙醚萃取，萃取液层与有机层合并，用10%的氢氧化钠洗涤至洗液呈碱性，再用水洗，静置分层，有机层用无水氯化钙干燥脱水，然后蒸馏，先蒸出苯和乙醚，再经减压蒸馏，在2133Pa下收集88～89℃馏分，即为成品。

4. 烟草：BU,56；BU，14；OR，26；FC，9；FC，BU，OR，18；FC，40。

苯乙酮海关

[ 海关编码 ]: 2914391000

[ 申报要素 ]: 品名, 成分含量, 用途, 丙酮报明包装

[ Summary ]:
HS: 2914391000 acetophenone Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:4.0% General tariff:11.0%

苯乙酮文献

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

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...

One-pot synthesis of 2-phenylimidazo[1,2-α]pyridines from acetophenone, [Bmim]Br(3) and 2-aminopyridine under solvent-free conditions.

Molecules 17(11) , 13368-75, (2012)

One-pot synthesis of 2-phenylimidazo[1,2-α]pyridines from acetophenone, [Bmim]Br(3) and 2-aminopyridine under solvent-free conditions in the presence of Na(2)CO(3), gave the corresponding 2-phenylimid...

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苯乙酮