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538-58-9生产厂家

538-58-9价格

538-58-9

538-58-9结构式
538-58-9结构式
  • 常用中文名:二亚苄叉丙酮DBA
  • 常用英文名:dibenzylideneacetone
  • CAS号:538-58-9
  • 分子式:C17H14O
  • 分子量:234.29200
  • 相关类别: 信号通路 抗感染 细菌
  • 发布时间:2018-02-06 08:00:00
  • 更新时间:2024-01-02 13:40:04
  • Dibenzylideneacetone 是灰霉病几丁质酶的小分子抑制剂,IC50 为 13.10 μg/mL。灰霉病菌的 MIC 为 32 μg/mL,抑制菌丝生长和孢子萌发的 EC50 值分别为 16.29 和 14.64 μg/mL。Dibenzylideneacetone 是潜在的水果保鲜抗真菌剂,有效延长了樱桃的保鲜时间。

化源商城直购

中文名 二苄叉丙酮
英文名 1,5-Diphenyl-3-pentadienone
中文别名 1,5-二苯基戊-1,4-二烯-3-酮(反-反式结构)
二亚苄基丙酮
二亚苄叉丙酮DBA
英文别名 Styrol ketone
1,5-diphenyl-1,4-pentadiene-3-one
MFCD00004790
DISTYRYL KETONE
1,5-diphenylpenten-1,4-dien-3-one
1,3-Dibenzylideneacetone
Bis(2-phenylvinyl) ketone
DIBENZAL ACETONE
1,5-Diphenylpenta-1,4-dien-3-one
EINECS 208-697-5
1,5-diphenyl pent-1,4-diene-3-one
Di(2-phenylvinyl) ketone
描述 Dibenzylideneacetone 是灰霉病几丁质酶的小分子抑制剂,IC50 为 13.10 μg/mL。灰霉病菌的 MIC 为 32 μg/mL,抑制菌丝生长和孢子萌发的 EC50 值分别为 16.29 和 14.64 μg/mL。Dibenzylideneacetone 是潜在的水果保鲜抗真菌剂,有效延长了樱桃的保鲜时间。
相关类别
靶点

Chitinase[1]

参考文献

[1]. Niu X, Wang Z, Wang C, Wang H. Dibenzylideneacetone Overcomes Botrytis cinerea Infection in Cherry Tomatoes by Inhibiting Chitinase Activity. J Agric Food Chem. 2023 Nov 1.  

密度 1.1g/cm3
沸点 400.7ºC at 760 mmHg
熔点 112-114ºC
分子式 C17H14O
分子量 234.29200
闪点 176.2ºC
精确质量 234.10400
PSA 17.07000
LogP 3.98230
外观性状 黄色粉末
折射率 1.649
储存条件

0-6°C密封保存,放置在通风,干爽的地方。

稳定性

按要求保存是不会发生分解或者反应的,远离氧化物。

分子结构

1、 摩尔折射率:77.63

2、 摩尔体积(m3/mol):212.8

3、 等张比容(90.2K):553.5

4、 表面张力(dyne/cm):45.7

5、 极化率(10-24cm3):30.77

计算化学

1、 疏水参数计算参考值(XlogP):4.1

2、 氢键供体数量:0

3、 氢键受体数量:1

4、 可旋转化学键数量:4

5、 互变异构体数量:

6、 拓扑分子极性表面积(TPSA):17.1

7、 重原子数量:18

8、 表面电荷:0

9、 复杂度:272

10、 同位素原子数量:0

11、 确定原子立构中心数量:0

12、 不确定原子立构中心数量:0

13、 确定化学键立构中心数量:1

14、 不确定化学键立构中心数量:1

15、 共价键单元数量:1

更多

1. 性状:未确定

2. 密度(g/mL,25/4℃):未确定

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):107-113

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,5.2kPa):未确定

7. 折射率:未确定

8. 闪点(ºC):未确定

9. 比旋光度(º):未确定

10. 自燃点或引燃温度(ºC):未确定

11. 蒸气压(kPa,25ºC):未确定

12. 饱和蒸气压(kPa,60ºC):未确定

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC):未确定

15. 临界压力(KPa):未确定

16. 油水(辛醇/水)分配系数的对数值:未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V):未确定

19. 溶解性:不溶于水

Name: 1,5-Diphenyl-3-pentadienone Material Safety Data Sheet
Synonym: 1,4-Pentadien-3-one, 1,5-diphenyl-; 1,5-Diphenyl-1,4-penadien-3-one; Dibenzalacetone; Dibenzylidene acetone; Distyryl ketone
CAS: 538-58-9
Section 1 - Chemical Product MSDS Name: 1,5-Diphenyl-3-pentadienone Material Safety Data Sheet
Synonym: 1,4-Pentadien-3-one, 1,5-diphenyl-; 1,5-Diphenyl-1,4-penadien-3-one; Dibenzalacetone; Dibenzylidene acetone; Distyryl ketone
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
538-58-9 1,5-Diphenyl-3-pentadienone 100 208-697-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
SECTION 4 - FIRST AID MEASURES
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:


SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.
SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.
SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 538-58-9: Personal Protective Equipment
Eyes:
Wear chemical splash goggles. Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Powder
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 111.00 - 113.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C17H14O
Molecular Weight: 234.30
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 538-58-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,5-Diphenyl-3-pentadienone - Not listed by ACGIH, IARC, or NTP.
SECTION 12 - ECOLOGICAL INFORMATION
SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.
SECTION 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 538-58-9: No information available. Canada CAS# 538-58-9 is listed on Canada's DSL List. CAS# 538-58-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 538-58-9 is listed on the TSCA inventory.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 12/21/1998 Revision #2 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A

生态学数据:

该物质对环境可能有危害,对水体应给予特别注意。

危害码 (欧洲) Xi
安全声明 (欧洲) S22-S24/25
WGK德国 3

由苯甲醛和丙酮反应得到。反应在乙醇水溶液中进行,反应温度20-25℃,产率78%。