2-氧代环己烷-1,1,3,3-四丙酸 | 5107-67-5

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 2-氧代环己烷-1,1,3,3-四丙酸
• 中文别名: 2-氧代-1,1,3,3-环己烷四丙酸
• 英文名称: 2,2,6,6-Tetrakis-(2-carboxy-aethyl)-cyclohexanon-(1)
• 英文别名: 3,3',3'',3'''-(2-oxo-cyclohexane-1,1,3,3-tetrayl)-tetra-propionic acid；1.1.3.3-Tetrakis-(2-carboxy-aethyl)-cyclohexanon-(2)；3,3',3'',3'''-(2-Oxo-cyclohexan-1,1,3,3-tetrayl)-tetra-propionsaeure；2-oxocyclohexane-1,1,3,3-tetrapropionic acid；2-OXO-1,1,3,3-CYCLOHEXANETETRAPROPIONIC ACID；3-[1,3,3-tris(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid
• CAS: 5107-67-5
• 化学式: C₁₈H₂₆O₉
• 分子量: 386.399
• InChiKey: CIVMSMDSVPVXSU-UHFFFAOYSA-N

物化性质

• 密度：
  1.4[at 20℃]
• LogP：
  -1.67 at 23.3℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  166
• 氢给体数：
  4
• 氢受体数：
  9

安全信息

• 海关编码：
  2918300090

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 2-Oxo-1,1,3,3-Cyclohexanetetrapropionic Acid
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 386,4 g/mol
No components need to be disclosed according to the applicable regulations.

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SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
No data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
No special environmental precautions required.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
No special environmental precautions required.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour No data available
c) Odour Threshold No data available
d) pH No data available
e) Melting point/freezing No data available
point
f) Initial boiling point and No data available
boiling range
g) Flash point No data available
h) Evaporation rate No data available
i) Flammability (solid, gas) No data available
j) Upper/lower No data available
flammability or
explosive limits
k) Vapour pressure No data available
l) Vapour density No data available
m) Relative density No data available
n) Water solubility No data available
o) Partition coefficient: n- No data available
octanol/water
p) Auto-ignition No data available
temperature
q) Decomposition No data available
temperature
r) Viscosity No data available
s) Explosive properties No data available
t) Oxidizing properties No data available
Other safety information
No data available

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SECTION 10: Stability and reactivity
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
No data available
Hazardous decomposition products
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
No data available
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
No data available
Germ cell mutagenicity
No data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
No data available
Specific target organ toxicity - single exposure
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
RTECS: Not available

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SECTION 12: Ecological information
Toxicity
No data available
Persistence and degradability
No data available
Bioaccumulative potential
No data available
Mobility in soil
No data available
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
No data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
No data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
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. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  2-氧代环己烷-1,1,3,3-四丙酸 在 lead(II) oxide 作用下， 生成 dispiro[5.1.5.3]hexadecane-3,7,11-trione
  参考文献：
  名称：

  ORGANIC POLYNITRILES. I. γ,γ-DICYANOPIMELONITRILE AND RELATED COMPOUNDS¹

  摘要：

  DOI：

  10.1021/jo01364a016
• 作为产物：
  描述：

  2,2,6,6-tetrakis(2-cyanoethyl)cyclohexanone 在 氢氧化钾 作用下， 生成 2-氧代环己烷-1,1,3,3-四丙酸
  参考文献：
  名称：

  Bruson; Riener, Journal of the American Chemical Society, 1942, vol. 64, p. 2857

  摘要：

  DOI：

文献信息

• Therapeutic and diagnostic ligand systems comprising transport molecule binding properties and medicaments containing the same
  申请人：——

  公开号：US20030185793A1

  公开（公告）日：2003-10-02

  The invention relates to transport molecule binding ligand compounds which comprise a therapeutically and/or diagnostically active substance and a carrier molecule-affine substance with a high association constant to the carrier molecule. The invention also relates to medicaments containing these ligand compounds and to diagnostic kits.

  这项发明涉及与载体分子结合的配体化合物，其包括具有治疗和/或诊断活性物质以及与载体分子具有高结合常数的载体分子亲和物质。该发明还涉及含有这些配体化合物的药物和诊断试剂盒。
• Emulsions Comprising A Dendritic Polymer And Use Of A Dendritic Polymer As An Emulsification Agent
  申请人：Morvan Mikel

  公开号：US20070202071A1

  公开（公告）日：2007-08-30

  The invention relates to novel emulsions comprising a dendritic polymer. The invention also relates to the use of a dendritic polymer as an emulsification agent. The inventive emulsions are suitable for use in the cosmetics, detergents, paint and coatings industries.

  本发明涉及一种包含树枝状聚合物的新型乳液。本发明还涉及将树枝状聚合物用作乳化剂的用途。本发明的乳液适用于化妆品、洗涤剂、涂料和涂层行业。
• Modified polyamides, polyamide compositions, and method for making same
  申请人：——

  公开号：US20040030057A1

  公开（公告）日：2004-02-12

  The invention concerns modified polyamides, and more particularly polyamides comprising units of the type obtained by reacting a diacid on a diamine, modified by a multifunctional compound. Finished articles formed from said polyamides or from compositions based on said polyamides exhibit excellent mechanical properties, as well as a very good surface appearance. The inventive modified polyamide is obtained by mixing in melted state polyamides of different types, in the presence of a multifunctional compound.

  本发明涉及改性聚酰胺，更具体地说，涉及包含通过将二酸与二胺反应获得的单元，经多功能化合物改性的聚酰胺。由该聚酰胺或基于该聚酰胺的组合物制成的成品表现出优异的机械性能，以及非常好的表面外观。所述改性聚酰胺是通过在熔融状态下混合不同类型的聚酰胺，在多功能化合物的存在下获得的。
• Vernetzungsmittel für Pulverlacke auf Basis von Polyestern
  申请人：CIBA-GEIGY AG

  公开号：EP0506617A2

  公开（公告）日：1992-09-30

  Die Erfindung hat zum Gegenstand die Verwendung von Polyglycidylverbindungen als Vernetzungsmittel in Pulverlacken auf Basis von Polyesterharzen, die mit Epoxidgruppen reagieren, dadurch gekennzeichnet, dass es sich bei den Verbindungen um Polyglycidylester der Formeln (I) oder (II) handelt: wobei in Formel (I) R₁,R₂,R₃ und R₄ unabhängig voneinander Wasserstoff, C₁-C₄-Alkyl oder Reste der Formel (III) bedeuten: worin A für eine Polymethylengruppe mit 2 bis 4 Kohlenstoffatomen steht, und R₅ und R₆ unabhängig voneinander Wasserstoff, C₁-C₄-Alkyl, Reste der Formel (III) oder zusammen eine unsubstituierte oder eine mit C₁-C₄-Alkyl substituierte Methylen- oder Polymethylengruppe mit 2 bis 7 Kohlenstoffatomen bedeuten, jedoch mindestens zwei der Reste R₁ bis R₆ Reste der Formel (III) sind, und in Formel (II) n eine ganze Zahl von 2 bis 6, R₇ einen n-wertigen organischen Rest mit 2 bis 30 Kohlenstoffatomen, und Z gleiche oder unterschiedliche Reste der Formel (IV) bedeuten: worin R₈ und R₉ entweder unabhängig voneinander Wasserstoff, Chlor, Brom oder C₁-C₄-Alkyl oder eines von beiden einen Rest der Formel (V): und das andere Wasserstoff, Chlor, Brom oder C₁-C₄-Alkyl bedeuten, und der sechsgliedrige Ring in Formel (IV) aromatisch oder nicht aromatisch ist. Vernetzungsmittel der Formeln (I) und (II) sind besonders zur Herstellung von Pulverlacken geeignet, die flexible und gleichzeitig hoch wetterbeständige Beschichtungen ergeben sollen.

  本发明涉及聚缩水甘油酯化合物作为交联剂在粉末涂料中的应用，该粉末涂料是以聚酯树脂为基础，与环氧基团发生反应，其特征在于该化合物是式 (I) 或 (II) 的聚缩水甘油酯： 其中，式 (I) 中的 R₁、R₂、R₃ 和 R₄ 相互独立地表示氢、C₁-C₄-烷基或式 (III) 的基： 其中，A 是具有 2 至 4 个碳原子的聚亚甲基，R₅ 和 R₆ 相互独立地表示氢、C₁-C₄-烷基、式 (III) 的基或一起表示未取代的或 C₁-C₄ 烷基取代的具有 2 至 7 个碳原子的亚甲基或聚亚甲基、但 R₁ 至 R₆ 中至少有两个是式 (III) 的基，在式 (II) 中，n 是 2 至 6 的整数，R₇ 是具有 2 至 30 个碳原子的正价有机基，Z 是相同或不同的式 (IV) 的基： 其中 R₈ 和 R𠢙 要么独立地为氢、氯、溴或 C₁-C₄ 烷基，要么其中一个为式 (V) 的基： 式（IV）中的六元环为芳香族或非芳香族。式（I）和式（II）的交联剂特别适用于生产柔性粉末涂料和高耐候性粉末涂料。
• Polyamide , son procédé de fabrication et compositions le contenant
  申请人：Rhodia Engineering Plastics Srl

  公开号：EP1223185A2

  公开（公告）日：2002-07-17

  La présente invention concerne un polyamide, un procédé de fabrication de celui-ci et des compositions le contenant. Elle concerne plus particulièrement un polyamide obtenu par polymérisation d'un aminoacide ou un lactame tel que le caprolactame en présence d'un composé comprenant au moins trois fonctions capables de former une fonction amide par réaction soit avec une fonction amine soit une fonction acide. Le polyamide ainsi obtenu comprend au moins une partie de ces chaînes moléculaires sous une structure étoile, l'autre partie étant sous forme linéaire. Ce polymère est notamment utile pour la fabrication de compositions destinées, par exemple, à être moulées car il présente une faible viscosité en milieu fondu tout en conservant les propriétés mécaniques d'un polymère linéaire.

  本发明涉及一种聚酰胺、其制造工艺和含有该聚酰胺的组合物。 本发明尤其涉及一种聚酰胺，它是由氨基酸或内酰胺（如己内酰胺）在含有至少三种官能团的化合物的存在下，通过与胺官能团或酸官能团反应形成酰胺官能团而聚合得到的。由此得到的聚酰胺至少包括其中一部分呈星形结构的分子链，另一部分呈线形结构。这种聚合物特别适用于制造用于模塑等用途的组合物，因为它在熔融介质中的粘度较低，同时又保持了线性聚合物的机械性能。