1,2,3-丙烷三羧酸三甲酯 | 6138-26-7

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 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: 1,2,3-丙烷三羧酸三甲酯
• 中文别名: 3-(甲氧羰基)戊二酸二甲酯
• 英文名称: 1,2,3-propanetricarboxylic acid trimethyl ester
• 英文别名: Trimethyl 1,2,3-propanetricarboxylate；trimethyl propane-1,2,3-tricarboxylate
• CAS: 6138-26-7
• 化学式: C₉H₁₄O₆
• mdl: MFCD00040552
• 分子量: 218.207
• InChiKey: IXINWTSBOAMACD-UHFFFAOYSA-N

物化性质

• 沸点：
  150 °C / 13mmHg
• 密度：
  1.18

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2917190090
• 储存条件：
  | 室温 |

SDS

Trimethyl 1,2,3-Propanetricarboxylate Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: Trimethyl 1,2,3-Propanetricarboxylate

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
Not classified
HEALTH HAZARDS
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols None
No signal word
Signal word
Hazard statements None
None
Precautionary statements:

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: Trimethyl 1,2,3-Propanetricarboxylate
Percent: >97.0%(GC)
CAS Number: 6138-26-7
Synonyms: 1,2,3-Propanetricarboxylic Acid Trimethyl Ester , Dimethyl 3-
(Methoxycarbonyl)pentanedioate , 3-(Methoxycarbonyl)pentanedioic Acid Dimethyl
Ester
Chemical Formula: C9H14O6

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Get medical advice/attention if you feel unwell. Rinse mouth.
Ingestion:
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Unsuitable extinguishing Solid streams of water
media:
Trimethyl 1,2,3-Propanetricarboxylate

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Section 5. FIRE-FIGHTING MEASURES
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapour or mist. Wash hands and face thoroughly after
handling.
Use a ventilation, local exhaust if vapour or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust as possible so that workers should not be
Engineering controls:
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Vapor respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Liquid
Form: Clear
Colorless - Very pale yellow
Colour:
Odour: No data available
pH: No data available
Melting point/freezing point:No data available
150°C/1.7kPa
Boiling point/range:
Flash point: No data available
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
1.18
Relative density:
Solubility(ies):
No data available
[Water]
[Other solvents] No data available
Trimethyl 1,2,3-Propanetricarboxylate

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
No data available
NTP =
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
No data available
Log Pow:
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to 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 14. TRANSPORT INFORMATION
Does not correspond to the classification standard of the United Nations
Hazards Class:
UN-No: Not listed

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.
Trimethyl 1,2,3-Propanetricarboxylate

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,2,3-丙烷三羧酸三甲酯 在 盐酸 、 氢氧化钾 、 palladium on activated charcoal 、 amalgamated zinc 、 甲苯 作用下， 生成 7,8-dimethyl-1,2,3,4-tetrahydro-naphthalene-1,2-dicarboxylic acid-anhydride
  参考文献：
  名称：

  有关三萜的知识。158。关于奎诺维奇酸的组成

  摘要：

  L.Ruzicka＆G.Anner（lc）由奎诺维奇酸制备的芳族酸酐C 14 H 10 O 4与1,2-二甲基萘-7,8-二羧酸酐相同。连同先前描述的降解反应，这导致几乎完全建立的喹诺夫酸的结构式I，其可以描述为α-锚蛋白的二酸。

  DOI：

  10.1002/hlca.19510340126
• 作为产物：
  描述：

  乌头酸 在 盐酸 、 sodium amalgam 、 水 作用下， 生成 1,2,3-丙烷三羧酸三甲酯
  参考文献：
  名称：

  Emery, Chemische Berichte, 1889, vol. 22, p. 2922

  摘要：

  DOI：

文献信息

• Bromine-Induced Facile Synthesis of Butenolides and Spirobutenolides from Sterically Congested Tetrasubstituted Dialkyl Alkylidene Succinates
  作者：Narshinha Argade、Ramesh Patel

  DOI：10.1055/s-0029-1219233

  日期：2010.4

  Starting from sterically congested tetrasubstituted dialkyl alkylidene succinates, facile general approach to several dialkyl substituted butenolides and spirobutenolides with the generation of quaternary carbon center has been demonstrated via bromine-induced dealkylative regioselective intramolecular cyclization and dehydrobromination pathway. The mechanistic aspects involved in the formation of butenolides have been also described in brief.

  从立体拥挤的四取代二烷基烯基琥珀酸酯出发，通过溴诱导的脱烷基化区域选择性分子内环化及脱溴化氢反应途径，已经证明了合成几种二烷基取代的丁烯内酯和螺丁烯内酯并生成四级碳中心的简便通用方法。对形成丁烯内酯的机理方面也进行了简要描述。
• Stabilizer compound, liquid crystal composition, and display device
  申请人：DIC Corporation

  公开号：US10336939B2

  公开（公告）日：2019-07-02

  Provided are a compound represented by general formula (I), a liquid crystal composition that uses the compound, and a liquid crystal display device that uses the liquid crystal composition. Adding the compound represented by general formula (I) to a liquid crystal composition can prevent degradation of the liquid crystal composition by light, heat, etc. The compound represented by general formula (I) dissolves well in the liquid crystal composition. Thus, when the compound represented by general formula (I) is used, a liquid crystal composition having both low viscosity (η) and high reliability can be prepared, and a high-speed response liquid crystal display device can be provided.

  提供了一个通式（I）表示的化合物，使用该化合物的液晶组合物，以及使用该液晶组合物的液晶显示装置。将通式（I）表示的化合物添加到液晶组合物中可以防止光、热等因素对液晶组合物的降解。通式（I）表示的化合物在液晶组合物中溶解良好。因此，当使用通式（I）表示的化合物时，可以制备具有低粘度（η）和高可靠性的液晶组合物，并提供高速响应的液晶显示装置。
• Combined Effect of Palladium Catalyst and the Alcohol to Promote the Uncommon Bis‐Alkoxycarbonylation of Allylic Substrates
  作者：Diego Olivieri、Riccardo Tarroni、Nicola Della Ca'、Raffaella Mancuso、Bartolo Gabriele、Gilberto Spadoni、Carla Carfagna

  DOI：10.1002/cctc.202101923

  日期：2022.3.22

  access to useful 2-substituted succinates was achieved starting from various allyl derivatives, including allyl carbonates, under mild conditions. The selectivity of this Pd-catalyzed oxidative Bis-Alkoxycarbonylation is governed by the combined effect of the ligand (anthryl α-diimine) and the nucleophile (benzyl alcohol). Mechanistic insights, based on DFT calculations, were proposed.

  在温和条件下，从各种烯丙基衍生物（包括碳酸烯丙酯）开始，可以轻松、意外地获得有用的 2-取代琥珀酸酯。这种 Pd 催化的氧化双烷氧基羰基化的选择性受配体（蒽基 α-二亚胺）和亲核试剂（苯甲醇）的联合作用控制。提出了基于 DFT 计算的机械见解。
• 3-substituted oxyglutaric diester compound, optically active 3-substituted oxyglutaric monoester compound, and processes for producing these
  申请人：Yamamoto Yasuhito

  公开号：US20050119341A1

  公开（公告）日：2005-06-02

  The present invention is to provide a 3-substituted oxyglutaric acid diester compound represented by the following formula (I): wherein R 1 may be the same or different from each other, and represents a substituted or unsubstituted alkyl group, R 2 represents a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkenyl group, a substituted or unsubstituted aralkyl group or a substituted or unsubstituted aryl group, and an optically active 3-substituted oxyglutaric acid monoester compound represented by the following formula (IV): wherein R 1 and R 2 have the same meanings as defined above, and processes for preparing the same.

  本发明提供了一种由以下式子(I)表示的3-取代氧戊二酸二酯化合物： 其中，R1可以相同也可以不同，代表取代或未取代的烷基基团，R2代表取代或未取代的烷基基团、取代或未取代的烯基基团、取代或未取代的芳基基团或取代或未取代的芳基基团。 本发明还提供了一种由以下式子(IV)表示的光学活性的3-取代氧戊二酸单酯化合物： 其中，R1和R2与上述定义相同，并提供了制备这些化合物的方法。
• PROCESS FOR PRODUCING TRICARBOXYLIC ACID TRIS (ALKYL-SUBSTITUTED CYCLOHEXYLAMIDE)
  申请人：Kitagawa Sachio

  公开号：US20090069599A1

  公开（公告）日：2009-03-12

  Disclosed are, for example, a process for producing a tricarboxylic acid tris(alkyl-substituted cyclohexylamide), the process comprising subjecting a tricarboxylic acid and an alkyl-substituted cyclohexylamine to an amidation reaction, either (a) in the presence of a boric acid compound and a phenol compound or (b) in the presence of a boric acid ester obtained by the dehydration condensation of a boric acid compound and a phenol compound, and optionally purifying the resulting crude reaction product.

  例如，本发明公开了一种生产三羧酸三（烷基取代的环己基）酰胺的方法，该方法包括将三羧酸和烷基取代的环己基胺置于酰胺反应中，（a）在硼酸化合物和酚化合物的存在下或（b）在通过脱水缩合一种硼酸化合物和一种酚化合物所得的硼酸酯的存在下进行反应，并可选择性地纯化所得的粗反应产物。