丁酸甘油酯

丁酸甘油酯 基本信息
CAS号 557-25-5 分子式 C7H14O4
分子量 162.18400 精确质量  162.08900
PSA  66.76000 LogP  -0.31710

基本信息 展开↓

CAS号:
557-25-5
3D弹球模型:
立即前往扯扯看
分子式:
C7H14O4
分子量:
162.18400
中文名称:
丁酸甘油酯
英文名称:
monobutyrin
中文别名:
丁酸甘油酯;
一丁酸甘油酯;
单酪酯;
丁酸单甘油酯;
甘油单丁酸酯;
1-甘油单丁酸酯
英文别名:
monobutyrin;
3-Butyryloxy-propan-1,2-diol;
BUTYRIN,MONO;
2-O-Butyrylglycerol;
Butyrin,1-mono;
Mono-n-butyrin;
2,3-dihydroxypropyl butanoate;
1-MONOBUTYRIN;
1-Butyrin;
3-butyryloxy-propane-1,2-diol;
1-BUTYROYLGLYCEROL;
2,3-dihydroxypropyl butyrate;
MONOBUTYRIN
精确分子量/精确质量:
162.08900
极性分子表面积/PSA:
66.76000
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:
MFCD00041830
EINECS:
209-165-5
InChI:
The Key: RIEABXYBQSLTFR-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


精制方法:无水硫酸钠干燥后减压蒸馏。

合成制备方法


精制方法:无水硫酸钠干燥后减压蒸馏。

用途简介


用作醋酸纤维素涂料,碱性染料等的溶剂。在皮革鞣制和炸药制造时也作溶剂使用。且具有杀虫作用。

用途


用作醋酸纤维素涂料,碱性染料等的溶剂。在皮革鞣制和炸药制造时也作溶剂使用。且具有杀虫作用。

物化性质展开↓

密度:
1.134g/cm3
沸点:
280.5ºC at 760mmHg
闪点:
111.3ºC
折射率:
1.445-1.453
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

常温常压下稳定,避免与强氧化剂接触。

其它信息:

1.      性状:无色或浅黄色透明液体

2.      密度(g/mL,20/4℃):1.1344

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):-70

5.      沸点(ºC,常压):153

6.      沸点(ºC,0.53KPa):139~140

7.      折射率(24ºC):1.4500

8.      闪点(ºC):>110

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,150ºC):0.93

12.   溶解度(%,30ºC,水):0.750

13.   蒸发热(KJ/kg):497.1

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:能与水、醇、氯代烃混溶,醚和苯中部分溶解,不溶于石油醚。

安全信息展开↓

安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

  • 931-40-8

    羟甲基二氧杂戊环酮

  • +

  • 107-92-6

    丁酸

  • ~83%

  • 557-25-5

    丁酸甘油酯

  • 106-31-0

    丁酸酐

  • +

  • 56-81-5

    甘油

  • ~43%

  • 557-25-5

    丁酸甘油酯

  • 60-01-5

    甘油三丁酸酯

  • 557-25-5

    丁酸甘油酯

  • +

  • 56-81-5

    甘油

MSDS 展开↓

Name: 1-Monobutyrin (Pract) Material Safety Data Sheet
Synonym: Butanoic Acid, 2,3-Dihydroxypropyl Ester
CAS: 557-25-5
Section 1 - Chemical Product   MSDS Name:1-Monobutyrin (Pract) Material Safety Data Sheet
Synonym:Butanoic Acid, 2,3-Dihydroxypropyl Ester

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
557-25-5 1-Monobutyrin (Pract) ca. 100% 209-165-5
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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray to cool fire-exposed containers. 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:
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. Provide ventilation.

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.
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# 557-25-5: 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: Clear liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 153 deg C @ 7.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0900g/cm3
Molecular Formula: C7H14O4
Molecular Weight: 162.19

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, 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# 557-25-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Monobutyrin (Pract) - 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# 557-25-5: No information available.
Canada
CAS# 557-25-5 is listed on Canada's NDSL List.
CAS# 557-25-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 557-25-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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:39.28

2、   摩尔体积(cm3/mol):142.9

3、   等张比容(90.2K):366.2

4、   表面张力(dyne/cm):43.0

5、   极化率(10-24cm3):15.57

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积66.8

7.重原子数量:11

8.表面电荷:0

9.复杂度:113

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

上下游相关产品

上游产品

更多
  • 56-81-5

    甘油

  • 107-92-6

    丁酸

  • 92418-59-2

    (2,2-dimethyl-1,3-dioxolan-4-yl)methyl butanoate

  • 931-40-8

    羟甲基二氧杂戊环酮

  • 106-31-0

    丁酸酐

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便