Butanoic acid,2,3-dihydroxypropyl ester structure
|
Common Name | Butanoic acid,2,3-dihydroxypropyl ester | ||
|---|---|---|---|---|
| CAS Number | 557-25-5 | Molecular Weight | 162.18400 | |
| Density | 1.134g/cm3 | Boiling Point | 280.5ºC at 760mmHg | |
| Molecular Formula | C7H14O4 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 111.3ºC | |
Summary: Monobutyrin (English name) is a colorless to grayish oil liquid with CAS number 557-25-5, molecular formula C7H14O4, and molecular weight 162.18400. For research use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | monobutyrin |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.134g/cm3 |
|---|---|
| Boiling Point | 280.5ºC at 760mmHg |
| Molecular Formula | C7H14O4 |
| Molecular Weight | 162.18400 |
| Flash Point | 111.3ºC |
| Exact Mass | 162.08900 |
| PSA | 66.76000 |
| Index of Refraction | 1.445-1.453 |
| InChIKey | RIEABXYBQSLTFR-UHFFFAOYSA-N |
| SMILES | CCCC(=O)OCC(O)CO |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym:Butanoic Acid, 2,3-Dihydroxypropyl Ester Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
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 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Butyryloxy-propan-1,2-diol |
| BUTYRIN,MONO |
| MONOBUTYRIN |
| Butyrin,1-mono |
| 2,3-dihydroxypropyl butanoate |
| 1-Butyrin |
| 2-O-Butyrylglycerol |
| 1-MONOBUTYRIN |
| 3-butyryloxy-propane-1,2-diol |
| EINECS 209-165-5 |
| Mono-n-butyrin |
| 2,3-dihydroxypropyl butyrate |
| 1-BUTYROYLGLYCEROL |
| MFCD00041830 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of monobutyrin? |
| A: CAS number of monobutyrin is 557-25-5. |
| Q: What is the molecular weight of monobutyrin? |
| A: Molecular weight of monobutyrin is 162.18400. |
| Q: What is the InChIKey of monobutyrin? |
| A: InChIKey of monobutyrin is RIEABXYBQSLTFR-UHFFFAOYSA-N. |
| Q: What is the molecular formula of monobutyrin? |
| A: Molecular formula of monobutyrin is C7H14O4. |
| Q: What English synonyms does monobutyrin have? |
| A: English synonyms of monobutyrin: 3-Butyryloxy-propan-1,2-diol, BUTYRIN,MONO, MONOBUTYRIN, Butyrin,1-mono, 2,3-dihydroxypropyl butanoate, 1-Butyrin, 2-O-Butyrylglycerol, 1-MONOBUTYRIN, 3-butyryloxy-propane-1,2-diol, EINECS 209-165-5, Mono-n-butyrin, 2,3-dihydroxypropyl butyrate, 1-BUTYROYLGLYCEROL, MFCD00041830. |
| Q: What is the polar surface area (PSA) of monobutyrin? |
| A: Polar surface area (PSA) of monobutyrin is 66.76000. |
| Q: What is the SMILES notation of monobutyrin? |
| A: SMILES notation of monobutyrin is CCCC(=O)OCC(O)CO. |
| Q: What is the boiling point of monobutyrin? |
| A: Boiling point of monobutyrin is 280.5ºC at 760mmHg. |
| Q: What is the safety information for monobutyrin? |
| A: Safety information for monobutyrin: S24/25. |
| Q: What is the English name of monobutyrin? |
| A: The English name of monobutyrin is monobutyrin. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |