2305-31-9

• 常用中文名：顺-1,3-环己烷二甲酸
• 常用英文名：cis-1,3-cyclohexanedicarboxylic acid
• CAS号：2305-31-9
• 分子式：C₈H₁₂O₄
• 分子量：172.178
• 发布时间：2018-03-07 08:00:00
• 更新时间：2024-01-14 18:52:32

名称

• 中文名: 顺-1,3-环己烷二甲酸
• 英文名: meso-cis-1,3-cyclohexanedicarboxylic acid
• 中文别名: 环己烷-1,3-二甲酸; 顺式-1,3-环己烷二甲酸
• 英文别名: (1R,3S)-1,3-Cyclohexanedicarboxylic acid; (1R,3S)-Cyclohexane-1,3-dicarboxylic acid; 1,3-Cyclohexanedicarboxylic acid; CIS-1,3-CYCLOHEXANEDICARBOXYLIC ACID; 1,3-Cyclohexanedicarboxylic acid, (1R,3S)-; cyclohexane-1,3-dicarboxylic acid; 1,3-Cyclohexanedicarboxylicacid, (1R,3S)-rel-; Cyclohexane-1,3-Dicarboxylic Acid

物化性质

• 密度: 1.315g/cm3
• 沸点: 332.4±25.0 °C at 760 mmHg
• 熔点: 165 °C
• 分子式: C₈H₁₂O₄
• 分子量: 172.178
• 闪点: 169.0±19.7 °C
• 精确质量: 172.073563
• PSA: 74.60000
• LogP: 0.46
• 蒸汽压: 0.0±1.5 mmHg at 25°C
• 折射率: 1.521
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：39.88

  2、 摩尔体积（m³/mol）：130.9

  3、 等张比容（90.2K）：361.1

  4、 表面张力（dyne/cm）：57.8

  5、 极化率（10 ^-24cm ³）：15.81

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：0.7

  2、 氢键供体数量：2

  3、 氢键受体数量：4

  4、 可旋转化学键数量：2

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：74.6

  7、 重原子数量：12

  8、 表面电荷：0

  9、 复杂度：179

  10、同位素原子数量：0

  11、确定原子立构中心数量：0

  12、不确定原子立构中心数量：2

  13、确定化学键立构中心数量：0

  14、不确定化学键立构中心数量：0

  15、共价键单元数量：1

• 更多:

  1. 性状：未确定

  2. 密度（g/L,25ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：165

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC 14mmHg）：未确定

  7. 折射率（nD20）：未确定

  8. 闪点（ºF）：未确定

  9. 比旋光度（）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（Pa,25ºC）：未确定

  12. 饱和蒸气压（kPa,20ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Section I.Chemical Product and Company Identification Chemical Name cis-1,3-Cyclohexanedicarboxylic Acid Portland OR Synonym1,3-Cyclohexanedicarboxylic acid, (1R,3S)-rel- (CA INDEX NAME) C8H12O4 Chemical Formula CAS Number2305-31-9 Section II.Composition and Information on Ingredients Chemical NameCAS Number Percent (%)TLV/PELToxicology Data cis-1,3-Cyclohexanedicarboxylic Acid2305-31-9Min. 98.0 Not available.Not available. (GC,T) Section III. Hazards Identification Acute Health EffectsNo 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. Follow safe industrial hygiene practices and always 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. Section IV.First Aid Measures Eye ContactCheck 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 ContactIn 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. InhalationIf 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. IngestionINDUCE 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. Section V.Fire and Explosion Data Auto-IgnitionNot available. FlammabilityMay be combustible at high temperature. Flash PointsFlammable LimitsNot available. Not available. Combustion ProductsThese products are toxic carbon oxides (CO, CO 2). Fire Hazards Not available. Risks of explosion of the product in presence of mechanical impact: Not available. Explosion Hazards Risks of explosion of the product in presence of static discharge: Not available. Fire Fighting Media SMALL FIRE: Use DRY chemical powder. and InstructionsLARGE FIRE: Use water spray, fog or foam. DO NOT use water jet. Consult with local fire authorities before attempting large scale fire-fighting operations. Continued on Next Page cis-1,3-Cyclohexanedicarboxylic Acid Section VI.Accidental Release Measures Spill CleanupUse a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any Instructionscontaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on disposal. Section VII. Handling and Storage Handling and StorageKeep 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. Section VIII. Exposure Controls/Personal Protection Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants below the exposure limit. Personal ProtectionSplash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent. Exposure LimitsNot available. Section IX. Physical and Chemical Properties Solid.Solubility Physical state @ 20°CNot available. Not available. Specific Gravity Molecular Weight172.18Partition CoefficientNot available. Boiling Point Not available.Vapor PressureNot applicable. Melting Point165°C (329°F)Vapor DensityNot available. Refractive IndexNot available.VolatilityNot available. Critical TemperatureNot available.OdorNot available. ViscosityNot available.TasteNot available. Section X.Stability and Reactivity Data Stability This material is stable if stored under proper conditions. (See Section VII for instructions) Conditions of InstabilityAvoid excessive heat and light. Incompatibilities Reactive with oxidizing agents. Section XI. Toxicological Information RTECS NumberNot available. Eye Contact. Ingestion. Inhalation. Routes of Exposure Toxicity DataNot available. Chronic Toxic EffectsCARCINOGENIC 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 EffectsNo 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. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Continued on Next Page cis-1,3-Cyclohexanedicarboxylic Acid Section XII.Ecological Information EcotoxicityNot available. Environmental FateNot available. Section XIII. Disposal Considerations Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a Waste Disposal 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. Section XIV. Transport Information DOT ClassificationNot a DOT controlled material (United States). PIN NumberNot applicable. Proper Shipping Name Not applicable. Packing Group (PG)Not applicable. DOT Pictograms Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis 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 ClassificationNot controlled under WHMIS (Canada). (Canada) EINECS Number (EEC) Not available. EEC Risk StatementsNot available. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 海关编码: 2917209090

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海关

海关编码	2917209090
中文概述	HS:2917209090 其他（环烷、环烯、环萜烯）多元羧酸 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 对苯二甲酸请注明4-CBA值, 对苯二甲酸请注明P-TL酸值, 对苯二甲酸请注明色度, 对苯二甲酸请注明水分
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验
Summary	2917209090 other cyclanic, cyclenic or cyclotherpenic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%