1-(2-羟基-5-甲基)-3-苯基-1,3-丙烷二酮

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

1-(2-羟基-5-甲基)-3-苯基-1,3-丙烷二酮 基本信息

中文名称:
1-(2-羟基-5-甲基)-3-苯基-1,3-丙烷二酮 
中文别名:
1-(2-羟基-5-甲基)-3-苯基-1,3-丙烷二酮;
1-(2-羟基-5-甲基苯基)-3-苯基-1,3-丙二酮 
英文名称:
1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione
英文别名:
1-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYL-1,3-PROPANEDIONE;
1-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYLPROPANE-1,3-DIONE;
1-(2-hydroxy-5-methylphenyl)-3-phenyl-1,3-propane;
1-(2-HYDROXY-5-METHYLPHENYL)3-PHENYL-1,3-PROPANEDIONE 97%;
1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione,97% 
CAS No.:
29976-82-7
分 子 式:
C16H14O3
分 子 量:
254.28
精确分子量:
254.09400
PSA:
54.37000
MDL:
MFCD00209591
InChI:
The Key: OKAQJPKEOQHKKY-UHFFFAOYSA-N
风险术语:
R36/37/38
安全术语:
S26S36
分子结构式:
SDS:
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1-(2-羟基-5-甲基)-3-苯基-1,3-丙烷二酮 物化性质

密度:
1.238g/cm3
熔点:
92-94ºC(lit.)
沸点:
455.7ºC at 760mmHg
闪点:
243.5ºC
折射率:
1.639
蒸汽压:
4.26E-09mmHg at 25°C
其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

1-(2-羟基-5-甲基)-3-苯基-1,3-丙烷二酮 安全信息

危险类别码:
36/37/38
安全说明:
26-36
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xi: Irritant;

1-(2-羟基-5-甲基)-3-苯基-1,3-丙烷二酮 MSDS

Name: 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1 3-propanedione Material Safety Data Sheet
Synonym: None Known
CAS: 29976-82-7
Section 1 - Chemical Product   MSDS Name:1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1 3-propanedione Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
29976-82-7 1-(2-Hydroxy-5-methylphenyl)-3-phenyl- 97 unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately 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. Wash mouth out with 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:
Treat symptomatically and supportively.

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 water spray, dry chemical, carbon dioxide, or chemical 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:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 29976-82-7: 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: Solid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 92 - 94 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C16H14O3
Molecular Weight: 254.59

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 29976-82-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione - 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
No information available.
IMO
No information available.
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 29976-82-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 29976-82-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 29976-82-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1-(2-羟基-5-甲基)-3-苯基-1,3-丙烷二酮 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):3.7

2.氢键供体数量:2

3.氢键受体数量:3

4.可旋转化学键数量:3

5.互变异构体数量:14

6.拓扑分子极性表面积57.5

7.重原子数量:19

8.表面电荷:0

9.复杂度:342

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:0

14.不确定化学键立构中心数量:1

15.共价键单元数量:1

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产品介绍:
产品名称:1-(2-羟基-5-甲基)-3-苯基-1,3-丙烷二酮 Cas号:29976-82-7 纯度:97% 包装信息:100mg 价格:466.0元
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宁波赛伦化工有限公司

产品介绍:
产品名称:1-(2-羟基-5-甲基)-3-苯基-1,3-丙烷二酮 Cas号:29976-82-7 纯度:98%-99% 包装信息:2kg 价格:洽谈
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