4,6-二甲基阔马酸甲酯; 5-甲氧羰基-4,6-二甲基-2-吡喃酮; 4,6-二甲基-2-氧-2H-吡喃-5-甲酸甲酯

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

4,6-二甲基阔马酸甲酯; 5-甲氧羰基-4,6-二甲基-2-吡喃酮; 4,6-二甲基-2-氧-2H-吡喃-5-甲酸甲酯 基本信息

中文名称:
4,6-二甲基阔马酸甲酯; 5-甲氧羰基-4,6-二甲基-2-吡喃酮; 4,6-二甲基-2-氧-2H-吡喃-5-甲酸甲酯 
中文别名:
4,6-二甲基阔马酸甲酯;
4,6-二甲基-2-氧-2H-吡喃-5-甲酸甲酯;
5-甲氧羰基-4,6-二甲基-2-吡喃酮 
英文名称:
2H-Pyran-5-carboxylicacid, 4,6-dimethyl-2-oxo-, methyl ester
英文别名:
Methyl isodehydroacetate;
methyl 2,4-dimethyl-6-oxopyran-3-carboxylate 
CAS No.:
41264-06-6
分 子 式:
C9H10O4
分 子 量:
182.17
精确分子量:
182.05800
PSA:
56.51000
EINECS:
255-283-5
InChI:
InChI=1/C9H10O4/c1-5-4-7(10)13-6(2)8(5)9(11)12-3/h4H,1-3H3
风险术语:
S24/25
安全术语:
S24/25
分子结构式:
SDS:
查看

4,6-二甲基阔马酸甲酯; 5-甲氧羰基-4,6-二甲基-2-吡喃酮; 4,6-二甲基-2-氧-2H-吡喃-5-甲酸甲酯 物化性质

外观与性状:
白色针状晶体
密度:
1.197 g/cm3
熔点:
68-70 °C(lit.)
沸点:
167 °C14 mm Hg(lit.)
闪点:
139.3ºC
折射率:
1.494
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):68-70

5.       沸点(ºC,常压):167/14mmHg

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

4,6-二甲基阔马酸甲酯; 5-甲氧羰基-4,6-二甲基-2-吡喃酮; 4,6-二甲基-2-氧-2H-吡喃-5-甲酸甲酯 安全信息

海关代码:
2932209090
WGK_Germany:
3
德国有关水污染物质的分类清单
安全说明:
S24/25

4,6-二甲基阔马酸甲酯; 5-甲氧羰基-4,6-二甲基-2-吡喃酮; 4,6-二甲基-2-氧-2H-吡喃-5-甲酸甲酯 毒理性

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

4,6-二甲基阔马酸甲酯; 5-甲氧羰基-4,6-二甲基-2-吡喃酮; 4,6-二甲基-2-氧-2H-吡喃-5-甲酸甲酯 MSDS

Name: Methyl Isodehydracetate 97% Material Safety Data Sheet
Synonym: Methyl-4,6-Dimethyl-2-Oxo-2H-Pyran-5-Carboxylate
CAS: 41264-06-6
Section 1 - Chemical Product   MSDS Name:Methyl Isodehydracetate 97% Material Safety Data Sheet
Synonym:Methyl-4,6-Dimethyl-2-Oxo-2H-Pyran-5-Carboxylate

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
41264-06-6 Methyl Isodehydracetate 97% 255-283-5
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.
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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire.

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:
Keep container closed when not in use. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 41264-06-6: 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 minimize contact with skin.
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: Crystalline powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 167 deg C @ 14.00mm Hg
Freezing/Melting Point: 67.00 - 69.00 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: C9H10O4
Molecular Weight: 182.18

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# 41264-06-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl Isodehydracetate - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 41264-06-6: No information available.
Canada
CAS# 41264-06-6 is listed on Canada's NDSL List.
CAS# 41264-06-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 41264-06-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4,6-二甲基阔马酸甲酯; 5-甲氧羰基-4,6-二甲基-2-吡喃酮; 4,6-二甲基-2-氧-2H-吡喃-5-甲酸甲酯 海关数据

中国海关编码:2932209090

概述:
2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4,6-二甲基阔马酸甲酯; 5-甲氧羰基-4,6-二甲基-2-吡喃酮; 4,6-二甲基-2-氧-2H-吡喃-5-甲酸甲酯 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:44.35

2   摩尔体积m3/mol152.1

3   等张比容(90.2K):375.9

4   表面张力dyne/cm37.2

5   极化率10-24cm317.58

计算化学数据

1.疏水参数计算参考值(XlogP):0.6

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:2

5.互变异构体数量:5

6.拓扑分子极性表面积52.6

7.重原子数量:13

8.表面电荷:0

9.复杂度:323

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:0

15.共价键单元数量:1

4,6-二甲基阔马酸甲酯; 5-甲氧羰基-4,6-二甲基-2-吡喃酮; 4,6-二甲基-2-氧-2H-吡喃-5-甲酸甲酯 上游产品

4,6-二甲基阔马酸甲酯; 5-甲氧羰基-4,6-二甲基-2-吡喃酮; 4,6-二甲基-2-氧-2H-吡喃-5-甲酸甲酯 下游产品

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