1,3:2,4-二(对甲基亚苄基)-D-山梨醇 | 81541-12-0

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,3:2,4-二(对甲基亚苄基)-D-山梨醇
• 中文别名: 1,3:2,4-双-O-(4-甲基亚苄基)-D-山梨醇；成核剂HX-2；1,3:2,4-二对甲基苄叉山梨醇(MDBS)；1,3:2,4-二对甲基苄叉山梨醇；成核透明剂3940；成核透明剂ZC-2；对二甲基二亚苄基山梨醇；成核剂3940；双(对甲基亚苯基)山梨糖醇
• 英文名称: 1,3:2,4-di-O-(4-methylbenzylidene)-D-sorbitol
• 英文别名: 1,3:2,4-bis-O-(p-methylbenzylidene)sorbitol；1,3:2,4-di-O-p-methylbenzylidene-D-sorbitol；1,3:2,4-di(4-methylbenzylidene)-D-sorbitol；1,3:2,4-bis(4-methylbenzylidene) sorbitol；1,3:2,4-bis(4-methylbenzylidene)sorbitol；Irgaclear DM；Di-p-methylbenzylidenesorbitol；(1R)-1-[(4R,4aR,8aS)-2,6-bis(4-methylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
• CAS: 81541-12-0；54686-97-4
• 化学式: C₂₂H₂₆O₆
• 分子量: 386.445
• InChiKey: LQAFKEDMOAMGAK-RLCYQCIGSA-N

物化性质

• 熔点：
  255-262°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  77.4
• 氢给体数：
  2
• 氢受体数：
  6

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 1,3:2,4-Di-p-methylbenzylidene sorbitol
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 1,3:2,4-Di-p-methylbenzylidene sorbitol
CAS number: 81541-12-0

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

---

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

---

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C22H26O6
Molecular weight: 386.4

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,3:2,4-二(对甲基亚苄基)-D-山梨醇 在 10 wt% Pd(OH)2 on carbon 、 氢气 、 4-甲基苯磺酸吡啶 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.8h， 生成 5,6-isopropylidene-D-glucitol
  参考文献：
  名称：

  Functional importance of the sugar moiety of jasmonic acid glucoside for bioactivity and target affinity

  摘要：

  "

  d-葡萄糖苷结构对茉莉酸葡萄糖苷的生物活性和靶标亲和力的重要性。

  "

  DOI：

  10.1039/c4ob02106a
• 作为产物：
  描述：

  山梨醇 、 对甲基苯甲醛 在 camphor-10-sulfonic acid 作用下， 以 甲醇 为溶剂， 反应 40.0h， 以78.9%的产率得到1,3:2,4-二(对甲基亚苄基)-D-山梨醇
  参考文献：
  名称：

  Method of preparing powdery diacetal clarifying agent

  摘要：

  提供的是一种制备粉状双缩醛澄清剂的方法，包括将芳香醛、多元醇和酸性催化剂混合在有机极性溶剂中，向上述混合物中加入氢化剂和无机含硅剂，并过滤混合物。通过该方法制备的粉状双缩醛澄清剂可以具有优异的流动性、分散性、热稳定性和色彩稳定性。因此，该粉状双缩醛澄清剂在高温下不会释放难闻的气味和发黄，使塑料制品具有更好的外观和视觉吸引力。

  公开号：

  US10336844B2

文献信息

• HEXAGONAL DIACETAL CRYSTAL, NUCLEATING AGENT CONTAINING THE HEXAGONAL CRYSTAL, POLYOLEFIN RESIN COMPOSITION CONTAINING THE HEXAGONAL CRYSTAL, MOLDED ARTICLES OF THE COMPOSITION, AND PROCESS FOR MOLDING THE COMPOSITION
  申请人：NEW JAPAN CHEMICAL CO.,LTD.

  公开号：EP0816365A1

  公开（公告）日：1998-01-07

  This invention provides hexagonal crystals of a diacetal represented by the formula (1) wherein R1 and R2 each represents an alkyl group having 1 to 4 carbon atoms or a halogen atom, each of m and n is an integer of 0 to 2 and p is 0 or 1, a nucleating agent comprising the diacetal of the formula (1), wherein part or the whole of the diacetal is in the form of hexagonal crystals, a polyolefin resin composition and a molded product each comprising a polyolefin resin and the nucleating agent, and a method for molding the polyolefin resin composition. According to the invention, the occurrence of fish eyes and coloration in a molded product can be prevented, the optical, mechanical and thermal properties of the molded product are superior and the molding cycle is shortened.

  本发明提供了由式（1）表示的二缩醛的六方晶体 其中 R1 和 R2 分别代表具有 1 至 4 个碳原子的烷基或卤素原子，m 和 n 分别为 0 至 2 的整数，p 为 0 或 1；包含式（1）二缩醛的成核剂，其中部分或全部二缩醛呈六方晶体状；包含聚烯烃树脂和成核剂的聚烯烃树脂组合物和模塑产品；以及模塑聚烯烃树脂组合物的方法。 根据本发明，可以防止模塑产品出现鱼眼和色斑，提高模塑产品的光学、机械和热性能，缩短模塑周期。
• METHOD FOR RECRYSTALLIZING DIACETAL IN POLYOLEFIN RESIN
  申请人：NEW JAPAN CHEMICAL CO.,LTD.

  公开号：EP0953598A1

  公开（公告）日：1999-11-03

  The present invention relates to a method for recrystallizing diacetal, such as 1,3:2,4-bis-O-(benzylidene)-D-sorbitol or a nuclearly substituted derivative thereof, in a polyolefin resin without giving a yellowish tint to the polyolefin resin; a polyolefin resin molded article containing a recrystallized diacetal which is obtainable by said recrystallization method; a method for producing polyolefin resin pellets containing the recrystallized diacetal by utilizing said recrystallization method, and polyolefin resin pellets obtainable by the above method; and a method for producing a polyolefin resin molded article by heating and melting said pellets at a temperature not lower than its sol-gel transition temperature during the heating cycle and rapidly cooling the melt; and a polyolefin resin molded article obtainable by said method.

  本发明涉及一种在聚烯烃树脂中重结晶二缩醛（如 1，3：2,4-双-O-(亚苄基)-D-山梨醇或其核取代衍生物在聚烯烃树脂中重结晶而不使聚烯烃树脂呈黄色的方法；含有通过所述重结晶方法获得的重结晶二缩醛的聚烯烃树脂成型品；利用上述重结晶方法生产含有重结晶二缩醛的聚烯烃树脂颗粒的方法，以及通过上述方法获得的聚烯烃树脂颗粒；以及通过在加热循环期间以不低于溶胶-凝胶转变温度的温度加热和熔化上述颗粒并迅速冷却熔体，生产聚烯烃树脂模塑品的方法；以及通过上述方法获得的聚烯烃树脂模塑品。
• DIACETAL COMPOSITION, PROCESS FOR THE PREPARATION OF THE SAME, NUCLEATING AGENT FOR POLYOLEFINS CONTAINING THE SAME, POLYOLEFIN RESIN COMPOSITIONS, AND MOLDINGS
  申请人：NEW JAPAN CHEMICAL CO.,LTD.

  公开号：EP0962459A1

  公开（公告）日：1999-12-08

  This invention provides a granular or powdery diacetal composition comprising: (a) at least one diacetal such as 1,3:2,4-O-dibenzylidene-D-sorbitol or a nucleus-substituted derivative thereof, and (b) at least one binder selected from the group consisting of neutral or weakly acidic monovalent organic acids, neutral or weakly acidic polyvalent organic acids, partial salts of neutral or weakly acidic polyvalent organic acids, salts of sulfuric acid ester, sulfonic acid salts, salts of phosphoric acid ester, phosphoric acid esters, phosphorous acid esters and aluminum salts of a neutral or weakly acidic monovalent organic acid, the binder being uniformly dispersed on the surface and in the interior of the particles of the granular or powdery diacetal composition; a process for preparing the composition; a polyolefin resin nucleating agent comprising the composition; a resin composition containing the nucleating agent and a polyolefin resin; and a polyolefin resin molded article.

  本发明提供了一种颗粒状或粉末状的二缩醛组合物，其中包括 (a) 至少一种二缩醛，如 1,3:2,4-O-二亚苄基-D-山梨醇或其核取代衍生物，和 (b) 至少一种粘合剂，该粘合剂选自以下组别：中性或弱酸性一价有机酸、中性或弱酸性多价有机酸、中性或弱酸性多价有机酸的部分盐、硫酸酯盐、磺酸盐、磷酸酯盐、磷酸酯盐、磷酸酯、磷酸酯和中性或弱酸性单价有机酸的铝盐，粘合剂均匀地分散在颗粒状或粉末状二缩醛组合物的颗粒表面和内部；制备该组合物的工艺；包含该组合物的聚烯烃树脂成核剂；包含成核剂和聚烯烃树脂的树脂组合物；以及聚烯烃树脂模塑制品。
• DIACETAL COMPOSITION, NUCLEATING AGENT CONTAINING THE COMPOSITION FOR POLYOLEFIN, POLYOLEFIN RESIN COMPOSITION CONTAINING THE DIACETAL COMPOSITION, PROCESS FOR PRODUCING THE RESIN COMPOSITION, AND MOLDED OBJECT
  申请人：NEW JAPAN CHEMICAL CO.,LTD.

  公开号：EP1375583A1

  公开（公告）日：2004-01-02

  Disclosed are a granular or powdery diacetal composition comprising (A) a diacetal such as 1,3:2,4-O-dibenzylidene-D-sorbitol, (B) a sulfuric ester salt and (C) an aliphatic monocarboxylic acid, components (B) and (C) being uniformly dispersed in the particles of the granular or powdery diacetal composition, and component (B) being present in a proportion of 0.1 to 3 wt% and component (C) being present in a proportion of 0.3 to 5 wt%, and the total amount of component (B) and component (C) being not more than 7 wt%, based on the diacetal composition; a polyolefin resin composition comprising the diacetal composition and a polyolefin resin; a process for preparing the resin composition; and a molding prepared by molding the polyolefin resin composition.

  公开了一种颗粒状或粉末状二缩醛组合物，该组合物包含(A)一种二缩醛，例如1,3:2,4-O-二亚苄基-D-山梨醇，(B)一种硫酸酯盐和(C)一种脂肪族一元羧酸，组分(B)和(C)均匀地分散在颗粒状或粉末状二缩醛组合物的颗粒中，组分(B)的存在比例为0.1至3 wt%，组分(C)以0.3至5 wt%的比例存在，且基于二缩醛组合物，组分(B)和组分(C)的总量不超过7 wt%；由二缩醛组合物和聚烯烃树脂组成的聚烯烃树脂组合物；制备该树脂组合物的工艺；以及通过模塑该聚烯烃树脂组合物制备的模塑。
• AGENT FOR INHIBITING MIGRATION OF ODOR AND TASTE GENERATED FROM DIACETAL, DIACETAL COMPOSITION CONTAINING THE AGENT FOR INHIBITING ODOR AND TASTE MIGRATION, NUCLEATING AGENT FOR POLYOLEFIN COMPRISING THE COMPOSITION, AND POLYOLEFIN RESIN COMPOSITION AND MOLDED OBJECT EACH CONTAINING THE NUCLEATING A
  申请人：NEW JAPAN CHEMICAL CO.,LTD.

  公开号：EP1505109A1

  公开（公告）日：2005-02-09

  Disclosed are an agent for suppressing transfer of odor and taste originating from a diacetal such as dibenzylidene sorbitol, comprising (B) an aliphatic alcohol or an aliphatic carboxylic acid containing at least one hydroxyl group, or comprising component (B) and (C) at least one member selected from the group consisting of specific sulfuric ester salts, saturated or unsaturated fatty acid alkali metal salts and aliphatic amines; a diacetal composition comprising the suppressing agent and the diacetal; a resin composition and a molded product comprising the diacetal composition and a polyolefin resin; and a method for suppressing transfer of odor and taste originating from the diacetal, or a method for suppressing aldehyde generation by thermal decomposition of the diacetal, comprising using the suppressing agent.

  本发明公开了一种用于抑制源自二缩醛（如二亚苄基山梨醇）的气味和味道转移的制剂，包括(B)脂肪醇或含有至少一个羟基的脂肪族羧酸，或包括组分(B)和(C)至少一个选自特定硫酸酯盐、饱和或不饱和脂肪酸碱金属盐和脂肪族胺组成的组的成员；由抑制剂和二缩醛组成的二缩醛组合物；由二缩醛组合物和聚烯烃树脂组成的树脂组合物和模塑产品；以及抑制二缩醛产生的气味和味道转移的方法，或抑制二缩醛热分解产生醛的方法，包括使用抑制剂。

表征谱图