959-28-4

959-28-4结构式

常用中文名：反-1,2-二苯甲酰乙烯
常用英文名：2-Butene-1,4-dione,1,4-diphenyl-, (2E)-
CAS号：959-28-4
分子式：C₁₆H₁₂O₂
分子量：236.26500
相关类别：香精与香料合成香料羧酸及酯类香料芳香族羧酸酯
发布时间：2018-03-18 08:00:00
更新时间：2024-01-04 09:53:20
【用途一】
有机合成中间体。

化源商城直购

中文名	反-1,2-二苯酰乙烯
英文名	trans-1,2-dibenzoylethylene
中文别名	反-1,2-二苯甲酰乙烯反-1,4-二苯基-2-丁烯-1,4-二酮反式-1,4-二苯基-2-丁烯-1,4-二酮
英文别名	4-diphenyl-4-dion(e)-2-butene-1 EINECS 213-498-1 trans-1,2-Diabenzoylbenzene (E)-1,2-DIBENZOYLETHYLENE trans-dibenzoylethylene trans-1,4-diphenylbut-2-ene-1,4-dione (2E)-1,4-diphenyl-2-buten-1,4-dione trans-1,4-diphenyl-2-butene-1,4-dione perdominantlytrans (E)-1,2-Dibenzoylethene trans-1,4-diphenylbut-2-en-1,4-dione MFCD00003083 dibenzoyl ethylene TRANS-DIPHENACYLIDENE

密度	1.141g/cm3
沸点	368.5ºC at 760mmHg
熔点	109-112 °C(lit.)
分子式	C₁₆H₁₂O₂
分子量	236.26500
闪点	138.2ºC
精确质量	236.08400
PSA	34.14000
LogP	3.30840
折射率	1.597
储存条件	储存在冷干燥的条件下，通风的地区远离加热和不相容的物质，密封保存
稳定性	常温常压下稳定，避免氧化物接触
分子结构	1、摩尔折射率：70.57 2、摩尔体积（m³/mol）：207.0 3、等张比容（90.2K）：539.9 4、表面张力（dyne/cm）：46.2 5、极化率（10 ^-24cm ³）：27.97
计算化学	1、疏水参数计算参考值（XlogP）：3.2 2、氢键供体数量：0 3、氢键受体数量：2 4、可旋转化学键数量：4 5、拓扑分子极性表面积（TPSA）：34.1 6、重原子数量：18 7、表面电荷：0 8、复杂度：286 9、同位素原子数量：0 10、确定原子立构中心数量：0 11、不确定原子立构中心数量：0 12、确定化学键立构中心数量：1 13、不确定化学键立构中心数量：0 14、共价键单元数量：1
更多	1. 性状：黄色针状晶体 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）：111℃ 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：未确定

Name:	Trans-1 2-Dibenzoylethylene 97% Material Safety Data Sheet
Synonym:	1, 4-Diphenyl-2-Butene-1, 4 Dione
CAS:	959-28-4

Section 1 - Chemical Product MSDS Name:Trans-1 2-Dibenzoylethylene 97% Material Safety Data Sheet
Synonym:1, 4-Diphenyl-2-Butene-1, 4 Dione

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
959-28-4	2-Butene-1,4-Dione, 1,4-Diphenyl-, (e)	97	213-498-1

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. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
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.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 959-28-4: Personal Protective Equipment Eyes: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 108.00 - 111.00 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: C16H12O2
Molecular Weight: 236.27

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 959-28-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Butene-1,4-Dione, 1,4-Diphenyl-, (e)- - 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# 959-28-4: No information available.
Canada
CAS# 959-28-4 is listed on Canada's NDSL List.
CAS# 959-28-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 959-28-4 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

生态学数据:

对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境

个人防护装备	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
安全声明 (欧洲)	S22-S24/25
危险品运输编码	NONH for all modes of transport
WGK德国	3
RTECS号	EM7000000

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