38289-28-0

• 常用中文名：丁基环己基甲酸
• 常用英文名：Buciclic acid
• CAS号：38289-28-0
• 分子式：C₁₁H₂₀O₂
• 分子量：184.275
• 发布时间：2018-04-13 08:00:00
• 更新时间：2024-01-05 08:40:49

名称

• 中文名: 反式-4-丁基环己烷甲酸
• 英文名: trans-4-Butylcyclohexanecarboxylic acid
• 中文别名: 反-4-N-丁基环己烷甲酸; 反-4-丁基环己甲酸; 反式对丁基环己基甲酸; 反-4-丁基环己甲酸; 反式对丁基环己基甲酸; 丁基环己基甲酸
• 英文别名: 4-Butylcyclohexane-1-carboxylic acid; trans-4-Butylcyclohexylcarboxylic acid; trans-e,e-4-butylcyclohexanecarboxylic acid; Trans-4-butylcyclohexyl carboxylic acid; 4-BUTYLCYCLOHEXANE CARBOXYLIC ACID; trans-4-Butylcyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 4-butyl-, trans-; trans-p-Butylcyclohexanecarboxylic acid; Buciclic acid; Cyclohexanecarboxylic acid, 4-butyl-; 4HA; trans 4-butylcyclohexanecarboxylic acid; 4-Butylcyclohexanecarboxylic acid; 4-butyl-trans-cyclohexanecarboxylic acid; trans-4-Butylcyclohe; trans-4-n-Butylcyclohexanecarboxylic acid; Buciclate; MFCD00059560; 4-Trans-butyl-cyclohexane carboxylic acid

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 287.7±8.0 °C at 760 mmHg
• 熔点: 37°C
• 分子式: C₁₁H₂₀O₂
• 分子量: 184.275
• 闪点: 138.6±13.1 °C
• 精确质量: 184.146332
• PSA: 37.30000
• LogP: 3.86
• 蒸汽压: 0.0±1.3 mmHg at 25°C
• 折射率: 1.465
• 储存条件:

  密封、阴凉、干燥保存

• 稳定性:

  常规情况下不会分解，没有危险反映

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.7

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积37.3

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:158

  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:0

  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/mL,20 ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：37

  5. 沸点（ºC,1.1 kPa）：未确定

  6. 沸点（ºC,15mm hg）：未确定

  7. 折射率：未确定

  8. 闪点（ºF）：>230°F;

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）： 未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）： 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

trans-4-Butylcyclohexanecarboxylic Acid Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:trans-4-Butylcyclohexanecarboxylic Acid Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDS Category 2 Skin corrosion/irritation Serious eye damage/eye irritationCategory 2A Not classified ENVIRONMENTAL HAZARDS GHS label elements Pictograms or hazard symbols Signal wordWarning Hazard statementCauses skin irritation Causes serious eye irritation Precautionary statements [Prevention]Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. [Response]IF IN EYES: 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. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):trans-4-Butylcyclohexanecarboxylic Acid Percent:>99.0%(GC)(T) CAS Number:38289-28-0 Chemical Formula:C11H20O2 Section4. 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. Gently wash with plenty of soap and water. If skin irritation or rash occurs: Get medical advice/attention. trans-4-Butylcyclohexanecarboxylic Acid Section4. FIRST AID MEASURES 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. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Dry chemical, foam, water spray, carbon dioxide. Suitable extinguishing media: Specific methods: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 protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling:Avoid contact with skin, eyes and clothing. Storage Keep container tightly closed. Store in a cool and dark place. Storage conditions: Store away from incompatible materials such as oxidizing agents. Law is followed. Packaging material: Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust 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. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:crystal - powder Color:White - Almost white Odor:No data available pH: No data available Melting point/freezing point:37 °C Boiling Point/Range:No data available Flash Point:No data available trans-4-Butylcyclohexanecarboxylic Acid Section9. PHYSICAL AND CHEMICAL PROPERTIES Explosive limits No data available Lower: Upper:No data available No data available Density: Solubility:Soluble in : Methanol Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. Reactivity:No special reactivity has been reported. Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide Products: Section11. TOXICOLOGICAL INFORMATION No data available Acute Toxicity: Skin corrosion/irritation: No data available No data available Serious eye damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: No data available IARC = NTP =No data available No data available Reproductive toxicity: Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobillity in soil log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a 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. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations UN-No:Not Listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. trans-4-Butylcyclohexanecarboxylic Acid SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2916209090

合成路线

20651-71-2 ~82% 38289-28-0

文献：Bazurin, Alexey A.; Krasnikov, Sergey V.; Obuchova, Tatiana A.; Danilova, Angelina S.; Balakin, Konstantin V. Tetrahedron Letters, 2004 , vol. 45, # 35 p. 6669 - 6672

71101-89-8 ~0% 38289-28-0 67589-83-7

文献：Kovshev; Karamysheva; Torgova; Geivandova; Roitman Journal of applied chemistry of the USSR, 1984 , vol. 57, # 5 pt 2 p. 1069 - 1070

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20651-71-2 71101-89-8
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海关

海关编码	2916209090
中文概述	2916209090 其他（环烷、环烯、环萜烯）一元羧酸（包括酸酐、酰卤化物，过氧化物和过氧酸及该税号的衍生物）. 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, 丙烯酸、丙烯酸盐或酯应报明包装
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 M.进口商品检验 N.出口商品检验
Summary	2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%