3-羟基-2,2-二(羟甲基)丙基乙酸酯 | 13051-29-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 3-羟基-2,2-二(羟甲基)丙基乙酸酯
• 英文名称: Pentaerythritmonoacetat
• 英文别名: 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate；[3-hydroxy-2,2-bis(hydroxymethyl)propyl] acetate
• CAS: 13051-29-1
• 化学式: C₇H₁₄O₅
• 分子量: 178.185
• InChiKey: OORDEDRRTSWSRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  5

SDS

Version 1.0
Regulation (EC) No 1907/2006

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1 - Product and Company Information

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Product Name PENTAERYTHRITOL MONOACETATE - 50 MG

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2 - Hazards Identification

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SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
Not hazardous according to Directive 67/548/EEC.

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3 - Composition/Information on Ingredients

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Product Name CAS # EC no Annex I
Index Number
PENTAERYTHRITOL MONOACETATE 13051-29-1 None None
Formula C7H14O5
Molecular Weight 178,1800 AMU

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4 - First Aid Measures

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AFTER INHALATION
If inhaled, remove to fresh air. If breathing becomes difficult,
call a physician.
AFTER SKIN CONTACT
In case of contact, immediately wash skin with soap and copious
amounts of water.
AFTER EYE CONTACT
In case of contact with eyes, flush with copious amounts of
water for at least 15 minutes. Assure adequate flushing by
separating the eyelids with fingers. Call a physician.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.

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5 - Fire Fighting Measures

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EXTINGUISHING MEDIA
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Suitable: Water spray. Carbon dioxide, dry chemical powder, or
appropriate foam.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.

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6 - Accidental Release Measures

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METHODS FOR CLEANING UP
Absorb on sand or vermiculite and place in closed containers for
disposal. Ventilate area and wash spill site after material
pickup is complete.

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7 - Handling and Storage

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HANDLING
Directions for Safe Handling: Avoid inhalation. Avoid contact
with eyes, skin, and clothing. Avoid prolonged or repeated
exposure.
STORAGE
Conditions of Storage: Keep tightly closed.

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8 - Exposure Controls / Personal Protection

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ENGINEERING CONTROLS
Safety shower and eye bath. Mechanical exhaust required.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling.
PERSONAL PROTECTIVE EQUIPMENT
Respiratory Protection: Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US)
or CEN (EU). Respiratory protection is not required. Where
protection is desired, use multi-purpose combination (US) or type
ABEK (EN 14387) respirator cartridges.
Hand Protection: Protective gloves.
Eye Protection: Chemical safety goggles.

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9 - Physical and Chemical Properties

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Appearance Physical State: Clear viscous liquid
Property Value At Temperature or Pressure
pH N/A
BP/BP Range N/A
MP/MP Range N/A
Flash Point N/A
Flammability N/A
Autoignition Temp N/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion Limits N/A
Vapor Pressure N/A
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Partition Coefficient Log Kow: - 2,860.
Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density N/A
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
Surface Tension N/A
Conductivity N/A
Miscellaneous Data N/A
Solubility N/A

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10 - Stability and Reactivity

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STABILITY
Stable: Stable.
Materials to Avoid: Strong oxidizing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur

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11 - Toxicological Information

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SIGNS AND SYMPTOMS OF EXPOSURE
To the best of our knowledge, the chemical, physical, and
toxicological properties have not been thoroughly investigated.
ROUTE OF EXPOSURE
Skin Contact: May cause skin irritation.
Skin Absorption: May be harmful if absorbed through the skin.
Eye Contact: May cause eye irritation.
Inhalation: May be harmful if inhaled. Material may be
irritating to mucous membranes and upper respiratory tract.
Ingestion: May be harmful if swallowed.

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12 - Ecological Information

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No data available.

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13 - Disposal Considerations

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SUBSTANCE DISPOSAL
Contact a licensed professional waste disposal service to dispose
of this material. Dissolve or mix the material with a combustible
solvent and burn in a chemical incinerator equipped with an
afterburner and scrubber. Observe all federal, state, and local
environmental regulations.

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14 - Transport Information

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RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
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IATA
Non-hazardous for air transport.

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15 - Regulatory Information

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Not hazardous according to Directive 67/548/EEC.
Caution: Substance not yet fully tested (EU).

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16 - Other Information

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WARRANTY
The above information is believed to be correct but does not
purport to be all inclusive and shall be used only as a guide. The
information in this document is based on the present state of our
knowledge and is applicable to the product with regard to
appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Inc.,
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
ALDRICH www.molbase.com

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-羟基-2,2-二(羟甲基)丙基乙酸酯 在 硝酸 作用下， 生成 Pentaerythrittrinitratacetat
  参考文献：
  名称：

  Organic Acid Esters of Pentaerythritol Trinitrate¹

  摘要：

  DOI：

  10.1021/ja01634a032
• 作为产物：
  描述：

  4-acetoxymethyl-2,6,7-trioxa-1-arsa-bicyclo[2.2.2]octane 在 二氯甲烷 、 silica gel 作用下， 生成 3-羟基-2,2-二(羟甲基)丙基乙酸酯
  参考文献：
  名称：

  Preparation of Esters of Pentaerythritol Arsenite and of Other Pentaerythritol Esters

  摘要：

  DOI：

  10.1021/jo01093a023

文献信息

• MULTI-ARM POLYMERIC PRODRUG CONJUGATES OF TAXANE-BASED COMPOUNDS
  申请人：Nektar Therapeutics

  公开号：US20160235705A1

  公开（公告）日：2016-08-18

  Among other aspects, provided herein are multi-arm polymeric prodrug conjugates of taxane-based compounds and/or fluorinated forms thereof. Methods of preparing such conjugates as well as methods of administering the conjugates are also provided. Upon administration to a patient, release of the taxane-based compound is achieved.

  在其他方面，本文提供了紫杉醇类化合物和/或其氟化形式的多臂聚合物前药共轭物。还提供了制备这种共轭物的方法以及给药的方法。在给患者施用后，紫杉醇类化合物被释放。
• Method of detecting nitrate esters
  申请人：Westinghouse Electric Company

  公开号：US05367061A1

  公开（公告）日：1994-11-22

  A method of detecting the presence and amount of a nitrate ester of a polyol in an unknown comprises preparing an antigen based on such an ester and using that antigen to raise antibodies for use in a biochemical assay for the nitrate ester. A preferred antigen is pentaerythritol trinitrate bonded to a protein such as thyroglobulin or BSA. Antibodies can be raised against this antigen in rabbits or other normally used laboratory animals, and the antibodies are used in, for example, a competitive inhibition enzyme immunosorbent assay (CIEIA).

  一种检测未知物中聚醇硝酸酯存在和数量的方法包括制备一种基于该酯的抗原，并使用该抗原提取抗体，用于生化检测聚醇硝酸酯。首选的抗原是与蛋白质（如甲状腺球蛋白或BSA）结合的三硝基五羟甲基三环己醇。可以在兔子或其他通常使用的实验室动物中提取针对该抗原的抗体，并将这些抗体用于例如竞争性抑制酶免疫吸附测定（CIEIA）等检测方法中。
• Isosorbide-Plasticized Starch And Uses Thereof
  申请人：Wnuk Andrew Julian

  公开号：US20120178858A1

  公开（公告）日：2012-07-12

  Starch plasticized, wholly or in part, with isosorbide, isomannide, isoidide, or a mixture thereof is disclosed. Blends of the plasticized starch and a synthetic polymer, like a polyolefin, also are disclosed.

  本发明涉及淀粉塑化物，其中淀粉塑化物完全或部分地与异山梨醇、异麦芽醇、异欧洲鼠李糖或其混合物共混。本发明还涉及淀粉塑化物与合成聚合物（如聚烯烃）的混合物。
• BIODEGRADABLE COMPOSITION COMPRISING POLYMERS OF NATURAL ORIGIN AND ALIPHATIC-AROMATIC COPOLYESTERS
  申请人：Bastioli Catia

  公开号：US20120316257A1

  公开（公告）日：2012-12-13

  The present invention relates to a biodegradable composition comprising at least one polymer of natural origin and at least one aliphatic-aromatic copolyester obtained starting from mixtures comprising aliphatic diols, polyfunctional aromatic acids, and at least two aliphatic dicarboxylic acids, at least one of which is long chain. Said composition combines improved biodegradability, excellent mechanical properties, a high level of industrial processability, limited environmental impact as well as stability of physical properties under the influence of environmental factors.

  本发明涉及一种可生物降解的组合物，包括至少一种天然来源的聚合物和至少一种由混合物制得的脂肪族芳香共聚酯，该混合物包括脂肪二醇、多官能团芳香酸和至少两种脂肪族二羧酸，其中至少一种是长链的。该组合物具有改善的生物降解性、优异的机械性能、高度的工业可加工性、有限的环境影响以及在环境因素影响下物理性能的稳定性。
• Oligomer-Calcimimetic Conjugates and Related Compunds
  申请人：Nektar Therapeutics

  公开号：US20140323565A1

  公开（公告）日：2014-10-30

  The invention relates to (among other things) oligomer-calcimimetic conjugates and related compounds. A conjugate of the invention, when administered by any of a number of administration routes, exhibits advantages over previously administered compounds.

  该发明涉及（除其他外）寡聚物-钙敏感受体结合物和相关化合物。该发明的结合物在通过多种给药途径的任何一种给予时，表现出优于先前给予化合物的优点。