β-甲基-β-羟基丁酸钙 | 135236-72-5

• 物质功能分类: 有机原料 - 有机金属盐
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 中文名称: β-甲基-β-羟基丁酸钙
• 中文别名: 3-羟基-3-甲基丁酸钙一水合物；β-甲基-β-羟基丁酸钙一水合物；HMB钙；β-羟基-β-甲基丁酸钙；3-羟基-3-甲基丁酸钙；β-甲基-b-羟基丁酸钙；3-羟基-3-甲基丁酸钙水合物；β-羟基β-丁酸甲酯钙；β-羟基β-甲基丁酸钙；b-甲基-b-羟基丁酸钙；HMB-Ca
• 英文名称: 3-Hydroxy-3-methylbutyric acid calcium salt hydrate
• CAS: 135236-72-5
• 化学式: C5H10CaO3
• 分子量: 158.21
• InChiKey: YZHOZVWZUXBPMD-UHFFFAOYSA-N

物化性质

• 熔点：
  >215°C (dec.)
• 溶解度：
  可微溶于水
• 稳定性/保质期：
  如果按照规定使用和储存，则不会发生分解，也不存在已知的危险反应。请避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.15
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 安全说明：
  S16,S23
• 危险品运输编号：
  UN 1179 3/PG 2
• WGK Germany：
  1
• 危险类别：
  3
• 危险品标志：
  F,Xn
• RTECS号：
  KN4725000
• 危险类别码：
  R11,R22
• 包装等级：
  II
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

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Section I.Chemical Product and Company Identification
Chemical Name Calcium 3-Hydroxy-3-methylbutyrate Hydrate
Portland OR
Synonym Butanoic acid, 3-hydroxy-3-methyl-, calcium salt (2:1)
(CA INDEX NAME);
3-Hydroxy-3-methylbutyric Acid Calcium Salt
Chemical Formula C10H18CaO6 ·xH2O
CAS Number 135236-72-5

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Section II. Composition and Information on Ingredients
Chemical Name CAS Number Percent (%) TLV/PEL Toxicology Data
Calcium 3-Hydroxy-3-methylbutyrate Hydrate 135236-72-5 Not availabe. Not available. Not available.

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Section III. Hazards Identification
No specific information is available in our data base regarding the toxic effects of this material for humans. However,
Acute Health Effects
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
CARCINOGENIC EFFECTS : Not available.
Chronic Health Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

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Section IV. First Aid Measures
Eye Contact Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
minutes. Get medical attention.
Skin Contact In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
Inhalation If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
Ingestion INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
material was ingested; the absence of such signs, however, is not conclusive.

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Section V. Fire and Explosion Data
Not available.
Flammability May be combustible at high temperature. Auto-Ignition
Flash Points Not available. Flammable Limits Not available.
Combustion Products These products are toxic carbon oxides (CO, CO2). Some metallic oxides.
Fire Hazards
Not available.
Explosion Hazards Risks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media SMALL FIRE: Use DRY chemical powder.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
and Instructions
Consult with local fire authorities before attempting large scale fire-fighting operations.
Continued on Next Page
Calcium 3-Hydroxy-3-methylbutyrate Hydrate

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Section VI. Accidental Release Measures
Spill Cleanup Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
Instructions
disposal.

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Section VII. Handling and Storage
Handling and Storage Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool
place. Avoid excessive heat and light. Do not breathe dust.
Information
Always store away from incompatible compounds such as oxidizing agents.

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Section VIII. Exposure Controls/Personal Protection
Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended
Engineering Controls
exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants
below the exposure limit.
Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
Personal Protection
specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Exposure Limits Not available.

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Section IX. Physical and Chemical Properties
Solid. (White powder.) Solubility
Physical state @ 20°C Soluble in water.
Not available.
Specific Gravity
274.32 (Anh.)
Molecular Weight Partition Coefficient Not available.
Boiling Point Not available. Vapor Pressure Not applicable.
Not available. Not available.
Melting Point Vapor Density
Not available. Volatility Not available.
Refractive Index
Not available.
Critical Temperature Not available. Odor
Viscosity Not available. Taste Not available.

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Section X. Stability and Reactivity Data
Stability

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents.

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Section XI. Toxicological Information
EK7879180
RTECS Number
Routes of Exposure Eye Contact. Ingestion. Inhalation.
Not available.
Toxicity Data
Chronic Toxic Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
Acute Toxic Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this
compound.

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Section XII. Ecological Information
Not available.
Ecotoxicity
Not available.
Environmental Fate
Continued on Next Page
Calcium 3-Hydroxy-3-methylbutyrate Hydrate

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Section XIII. Disposal Considerations
Waste Disposal Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.

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Section XIV. Transport Information
Not a DOT controlled material (United States).
DOT Classification
PIN Number Not applicable.
Proper Shipping Name Not applicable.
Packing Group (PG) Not applicable.
DOT Pictograms

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Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS Classification Not controlled under WHMIS (Canada).
(Canada)
EINECS Number (EEC) Not available.
EEC Risk Statements Not available.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途：用于医药中间体、饲料添加剂等领域。

文献信息

• [EN] PROCESS FOR MANUFACTURING HMB AND SALTS THEREOF<br/>[FR] PROCÉDÉ DE FABRICATION DE HMB ET DE SES SELS
  申请人：ABBOTT LAB

  公开号：WO2013025775A1

  公开（公告）日：2013-02-21

  A continuous process and system for manufacturing beta-hydroxy-beta-methylbutyrate (HMB) and salts thereof is provided. The continuous process includes providing at least one oxidant and diacetone alcohol, and combining the at least one oxidant with the diacetone alcohol in a first flow reactor to produce a product stream comprising HMB or a salt thereof. Optionally, the process includes a second flow reactor for the acidification of a salt of beta-hydroxy-beta-methylbutyrate to produce beta-hydroxy-beta-methylbutyrate in free acid form.

  提供了一种用于制造β-羟基-β-甲基丁酸（HMB）及其盐的连续工艺和系统。该连续工艺包括提供至少一种氧化剂和二丙酮醇，并将至少一种氧化剂与二丙酮醇在第一流动反应器中结合以产生包含HMB或其盐的产品流。可选地，该工艺包括第二流动反应器，用于酸化β-羟基-β-甲基丁酸盐以产生游离酸形式的β-羟基-β-甲基丁酸。
• Water-soluble polymers for the reduction of dietary phosphate or oxalate absorption
  申请人：——

  公开号：US20020064511A1

  公开（公告）日：2002-05-30

  The present invention is directed to a water-soluble polyether glycol polymer having: a structural backbone of carbon atoms and oxygen atoms where there are at least two consecutive carbon atoms present between each oxygen atom; a moiety on the backbone of the polymer or a functionalized derivative on the polymer, that is cationic at physiological pH and permits complexation with phosphate or oxalate; and an average molecular weight from about 5,000 to about 750,000 Daltons. These polymers are formulated for oral dosage to reduce the phosphonate or oxalate levels in an animal. The process of preparing these polymers and the method of reducing gastrointestinal absorption of phosphate and oxalate are included.

  本发明涉及一种水溶性聚醚聚醇聚合物，其具有以下特征：碳原子和氧原子构成的结构骨架，在每个氧原子之间至少存在两个相邻的碳原子；聚合物骨架上的基团或聚合物上的官能化衍生物，在生理pH下是阳离子的，并允许与磷酸盐或草酸盐形成配合物；平均分子量约为5,000至750,000道尔顿。这些聚合物被制成口服剂量形式，以降低动物体内的磷酸盐或草酸盐水平。本发明还包括制备这些聚合物的方法以及减少磷酸盐和草酸盐胃肠吸收的方法。
• Nutritional compositions including beta-hydroxy-beta-methylbutyrate for regulating transcription factors
  申请人：Abbott Laboratories, Inc.

  公开号：EP2647374A1

  公开（公告）日：2013-10-09

  Disclosed are nutritional compositions that include beta-hydroxy-beta-methylbutyrate. The nutritional compositions may be administered to prevent and/or reduce and/or treat diseases and conditions associated with downregulation of serine-threonine kinase protein kinase B (Akt/PKB) signaling pathways, with the concomitant FOXO transcription factors activation, such as muscle wasting, diabetes, infertility, neurodegeneration, and immune system dysfunction.

  本发明公开了包括β-羟基-β-甲基丁酸的营养组合物。这些营养组合物可用于预防和/或减少和/或治疗与丝氨酸-苏氨酸激酶蛋白激酶 B（Akt/PKB）信号通路下调以及伴随的 FOXO 转录因子激活有关的疾病和病症，如肌肉萎缩、糖尿病、不孕症、神经变性和免疫系统功能障碍。
• Antidepressant effect of ß-hydroxy-ß-methylbutyrate
  申请人：Abbott Laboratories, Inc.

  公开号：EP2745708A1

  公开（公告）日：2014-06-25

  A method of treating or preventing depression using β-hydroxy-β-methylbutyrate (HMB) is described. The method includes administering an effective amount of HMB or a pharmaceutically acceptable salt thereof to a subject in need thereof. The HMB can be administered as part of a nutritional composition. Also provided is a method of treating or preventing a condition which can be improved or prevented by the activation of mTOR signaling by administering an effective amount of HMB or a pharmaceutically acceptable salt thereof to a subject in need thereof.

  本文描述了一种使用β-羟基-β-甲基丁酸（HMB）治疗或预防抑郁症的方法。该方法包括向有需要的受试者施用有效量的 HMB 或其药学上可接受的盐。HMB 可作为营养组合物的一部分给药。还提供了一种治疗或预防病症的方法，通过向有需要的受试者施用有效量的 HMB 或其药学上可接受的盐，可通过激活 mTOR 信号转导改善或预防病症。
• NUTRITIONAL PRODUCTS HAVING IMPROVED ORGANOLEPTIC PROPERTIES
  申请人：Abbott Laboratories

  公开号：EP2984941A1

  公开（公告）日：2016-02-17

  Disclosed are nutritional products comprising pea protein hydrolysates as a primary or sole source of protein. The nutritional products include nutritional liquids, powders, bars, and other food products, wherein the resulting nutritional products are physically stable over shelf life and provide favorable organoleptic properties. These nutritional products may be used as a nutritional source for individuals who are intolerant and/or allergic to cow milk proteins and soy proteins and/or who have malabsorption, maldigestion, or other gastrointestinal conditions.

  所公开的是由豌豆蛋白水解物作为主要或唯一蛋白质来源的营养产品。这些营养产品包括营养液体、粉末、棒状食品和其他食品，其中所产生的营养产品在保质期内具有物理稳定性，并提供良好的感官特性。这些营养产品可用作对牛奶蛋白和大豆蛋白不耐受和/或过敏和/或有吸收不良、消化不良或其他胃肠道疾病的人的营养来源。