a-乙酰-a-甲基-γ-丁内酯

a-乙酰-a-甲基-γ-丁内酯 基本信息
CAS号 1123-19-9 分子式 C7H10O3
分子量 142.15200 精确质量  142.06300
PSA  43.37000 LogP  0.52860

等价的CAS号:

1123-19-9,112607-28-0,112607-29-1

基本信息 展开↓

CAS号:
1123-19-9
3D弹球模型:
立即前往扯扯看
分子式:
C7H10O3
分子量:
142.15200
中文名称:
a-乙酰-a-甲基-γ-丁内酯
英文名称:
3-acetyl-3-methyloxolan-2-one
中文别名:
a-乙酰-a-甲基-γ-丁内酯;
3-乙酰基-3-甲基四氢呋喃-2-酮;
Α-乙酰-Α-甲基-Γ-丁内酯;
ALPHA-乙酰-ALPHA-甲基-GAMMA-丁内酯;
3-乙酰基-3-甲基二氢呋喃-2(3H)-酮
英文别名:
3-acetyl-3-methyloxolan-2-one;
2(3h)-Furanone,3-acetyldihydro-3-methyl;
2-acetyl-2-methylbutyrolactone;
3-acetyl-3-methyl-2-oxo-3,4,5-trihydrofuran;
3-acetyl-2,3,4,5-tetrahydro-3-methylfuran-2-one;
3-acetyl-3-methyldihydrofuran-2(3H)-one;
2-methyl-2-acetylbutyrolactone
精确分子量/精确质量:
142.06300
极性分子表面积/PSA:
43.37000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00005395
EINECS:
214-370-8
BRN:
113636
InChI:
InChI=1/C7H10O3/c1-5(8)7(2)3-4-10-6(7)9/h3-4H2,1-2H3/t7-/m1/s1

物化性质展开↓

密度:
1.15
沸点:
95ºC (5 torr)
闪点:
111ºC
折射率:
n20/D 1.456(lit.)
蒸汽压:
0.00585mmHg at 25°C
存储条件/存储方法:

密封、在 0-6 ºC下保存

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应,避免氧化物

        

其它信息:

1.       性状:液体

2.       密度(g/mL,25):1.155

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,10mm):120-122

7.       折射率(n20/D)1.456

8.       闪点(ºF):233

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(mmHg,20ºC):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

安全信息展开↓

海关代码:
2932209090
安全说明:
S24/25

合成路线查看所有的合成路线

  • 517-23-7

    α-乙酰基-γ-丁内酯

  • +

  • 74-88-4

    甲基碘

  • ~84%

  • 1123-19-9

    a-乙酰-a-甲基-γ-丁内酯

  • 67-56-1

    甲醇

  • +

  • 517-23-7

    α-乙酰基-γ-丁内酯

  • +

  • 71-43-2

  • 1123-19-9

    a-乙酰-a-甲基-γ-丁内酯

  • 105-45-3

    乙酰乙酸甲酯

  • 1123-19-9

    a-乙酰-a-甲基-γ-丁内酯

毒理性展开↓

生态数据:

对水是稍微有危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。

MSDS 展开↓

Name: alpha-Acetyl-alpha-methyl-gamma-butyrolactone, 95% Material Safety Data Sheet
Synonym: None.
CAS: 1123-19-9
Section 1 - Chemical Product MSDS Name: alpha-Acetyl-alpha-methyl-gamma-butyrolactone, 95% Material Safety Data Sheet
Synonym: None.
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1123-19-9 alpha-Acetyl-alpha-methyl-gamma-butyro 95 214-370-8
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Moisture sensitive.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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Do NOT get water inside containers. 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation. Do not get water inside containers.
SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Do not allow contact with water. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.) Store protected from moisture.
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# 1123-19-9: 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:
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: Liquid
Color: clear yellow to brown
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: 111 deg C ( 231.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.1550g/cm3
Molecular Formula: C7H10O3
Molecular Weight: 142.15
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, moisture, strong oxidants.
Incompatibilities with Other Materials:
Moisture, strong 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# 1123-19-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
alpha-Acetyl-alpha-methyl-gamma-butyrolactone - 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# 1123-19-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1123-19-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1123-19-9 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 9/02/1997 Revision #6 Date: 2/02/2005 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

海关数据查看详细

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%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:34.00

2、   摩尔体积m3/mol125.9

3、   等张比容90.2K307.7

4、   表面张力dyne/cm: 35.6

5、   介电常数:无可用

6、   偶极距10-24cm3:无可用

7、   极化率:13.47

计算化学数据


1.疏水参数计算参考值(XlogP):0.5

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:1

5.互变异构体数量:2

6.拓扑分子极性表面积43.4

7.重原子数量:10

8.表面电荷:0

9.复杂度:185

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:1

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

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