557-25-5 (丁酸甘油酯,Glycerol 1-Monobutyrate (Technical Grade))

CAS号:
557-25-5
中文名称:
丁酸甘油酯
英文名称:
Glycerol 1-Monobutyrate (Technical Grade)
分子式:
C7H14O4
分子量:
162.183662891388
简介:
丁酸甘油酯由一分子甘油与三分子丁酸酯化而成的甘油酯。存在于奶油、鱼肝油与汗液中。

丁酸甘油酯(557-25-5)名称与标识符

名称

中文别名:
丁酸甘油酯;1-丁酸甘油酯;单酪酯;丁酸甘油酯;丁酸甘油酯(工业级);丁酸单甘油酯;甘油单丁酸酯;一丁酸甘油酯;
英文别名:
Butanoic acid,2,3-dihydroxypropyl ester;1-MONOBUTYRIN;Monobutyrin(Technical);1-Butyrin;1-BUTYROYLGLYCEROL;2,3-dihydroxypropyl butanoate;2,3-dihydroxypropyl butyrate;2-O-Butyrylglycerol;3-Butyryloxy-propan-1,2-diol;3-butyryloxy-propane-1,2-diol;Butyrin,1-mono;BUTYRIN,MONO;MONOBUTYRIN;Mono-n-butyrin;1-Butyrylglycerol;Butanoic acid, 2,3-dihydroxypropyl ester;alpha-Monobutyrin;.alpha.-Monobutyrin;1-Mono-n-butyrin;Butyrin, 1-mono-;Glycerol-alpha-mono-n-butyrate;Glycerol-.alpha.-mono-n-butyrate;RIEABXYBQSLTFR-UHFFFAOYSA-N;1-O-(butyryl)glycerol;2,3-Dihydroxypropylbutyrat;1-monobutyrin, AldrichCPR;BUTANOIC ACID 2,3-;MG 4:0;FT-0693611;MONOBUTYRIN, (+/-)-;CHEBI:76503;GLYCEROL .ALPHA.-MONOBUTYRATE;NSC8451;GLYCEROL 1-MONOBUTYRATE;DTXSID70871764;NS00043624;MAG 4:0;UNII-0YT8423E8U;1-Monotetranoin;NSC-8451;Butanoic acid,3-dihydroxypropyl ester;EINECS 248-160-2;0YT8423E8U;NSC 8451;CS-0331773;(-)-D-Glycerol 1-butyrate;AI3-28578;26999-06-4;Glycerol 1-Monobutyrate (Technical Grade);CHEMBL1987276;NCI60_041861;AS-56440;Q27146050;BUTANOIC ACID 2,3-DIHYDROXYPROPYL ESTER;3-butyryloxypropane-1,2-diol;GLYCERYL 3-MONOBUTYRATE;MONOBUTYRIN [MI];Butyric acid, monoester with propane-1,2,3-triol;AKOS025243286;2,3-Dihydroxypropyl butyrate #;AMY22513;SCHEMBL68553;EINECS 209-165-5;557-25-5;Butyrate de 2,3-dihydroxypropyle;Butanoic acid, monoester with 1,2,3-propanetriol;A10828;1-Monobutyrin; 2,3-Dihydroxypropyl Butyrate; Glycerol 1-Monobutyrate;;NSC 8451; a-Monobutyrin;Glycerol a-Monobutyrate; Glycerol-a-mono-n-butyrate; Glyceryl 3-Monobutyrate;

标识符

MDL:
MFCD00041830
InChIKey:
RIEABXYBQSLTFR-UHFFFAOYSA-N
Inchi:
1S/C7H14O4/c1-2-3-7(10)11-5-6(9)4-8/h6,8-9H,2-5H2,1H3
SMILES:
O(C(CCC)=O)CC(CO)O

丁酸甘油酯(557-25-5)物化性质

实验特性

  • LogP : -0.31710
  • PSA : 66.76000
  • 折射率 : 1.445-1.453
  • 沸点 : 153 °C (7 mmHg)
  • 熔点 : Not available
  • 蒸气压 : 0.0±1.3 mmHg at 25°C
  • 闪点 : 111.3±15.3 °C
  • 颜色与性状 : 无色或浅黄色透明液体
  • 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。
  • 密度 : 1.09

计算特性

  • 精确分子量 : 162.08900
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 6
  • 同位素质量 : 162.089209
  • 重原子数量 : 11
  • 复杂度 : 113
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -0.2
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 66.8

丁酸甘油酯(557-25-5)国际标准相关数据

EINECS:
8451

丁酸甘油酯(557-25-5)生产方法和用途

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。
生产方法:
精制方法:无水硫酸钠干燥后减压蒸馏。

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丁酸甘油酯(557-25-5)相关文献

丁酸甘油酯(557-25-5)参考资料

Reaxys RN:
PubChem CID:

丁酸甘油酯(557-25-5) MSDS

基础信息

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 NamecontentEINECS#
557-25-51-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