498-63-5

• 常用中文名：吡咯烷-2-甲醇
• 常用英文名：L-(+)-Prolinol
• CAS号：498-63-5
• 分子式：C₅H₁₁NO
• 分子量：101.147
• 发布时间：2018-08-06 12:25:23
• 更新时间：2024-01-02 11:42:11

名称

• 中文名: 吡咯烷-2-甲醇
• 英文名: prolinol
• 中文别名: 2-(羟甲基)吡咯烷; 吡啶烷-2-甲醇; DL-脯氨醇
• 英文别名: Pyrrolidin-2-yl-methanol; 2-Pyrrolidinemethanol; H-L-PRO-OL; (S)-(+)-Prolinol; 2-Pyrrolidinylmethanol; DL-Prolinol; Pyrrolidine, 2-(hydroxymethyl)-; 2-Pyrrolidinemethanol, (2S)-; (S)-(+)-2-(Hydroxymethyl)Pyrrolidine; (2S)-pyrrolidin-2-ylmethanol; L-Prolinol; (2S)-2-Pyrrolidinylmethanol; (S)-Pyrrolidin-2-ylmethanol; H-PROLINOL; pyrrolidin-2-ylmethanol; Prolinol; pyrrolidine-2-methanol; L-Pro-ol; rac-prolinol; (S)-Prolinol; (2S)-2-Pyrrolidinemethanol; (S)-(+)-2-Pyrrolidinemethanol; H-PRO-OL; L(+)-Prolinol; (2S)-prolinol; 2-(Hydroxymethyl)pyrrolidine

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 211.0±0.0 °C at 760 mmHg
• 分子式: C₅H₁₁NO
• 分子量: 101.147
• 闪点: 86.1±0.0 °C
• 精确质量: 101.084061
• PSA: 32.26000
• LogP: -0.67
• 外观性状: 液体;Colorless to Light orange to Yellow clear liquid
• 蒸汽压: 0.0±0.9 mmHg at 25°C
• 折射率: 1.455
• 储存条件: 室温，密封
• 计算化学:

  1.疏水参数计算参考值（XlogP）:-0.3

  2.氢键供体数量:2

  3.氢键受体数量:2

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积:32.3

  7.重原子数量:7

  8.表面电荷:0

  9.复杂度:56

  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:1

  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

MSDS

DL-Prolinol Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:DL-Prolinol Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDS Category 4 Flammable liquids HEALTH HAZARDS Category 2 Skin corrosion/irritation Serious eye damage/eye irritationCategory 2A Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordWarning Hazard statementsCombustible liquid Causes skin irritation Causes serious eye irritation Precautionary statements: Keep away from flames and hot surfaces. [Prevention] Wash hands thoroughly after handling. Wear protective gloves and eye/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. [Storage]Store in a well-ventilated place. Keep cool. [Disposal]Dispose of contents/container through a waste management company authorized by the local government. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:DL-Prolinol Percent:>95.0%(GC)(T) 498-63-5 CAS Number: Synonyms:2-(Hydroxymethyl)pyrrolidine , 2-Pyrrolidinemethanol DL-Prolinol Section3. COMPOSITION/INFORMATION ON INGREDIENTS Chemical Formula:C5H11NO 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. 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. Section5. FIRE-FIGHTING MEASURES Dry chemical, foam, water in large amounts, carbon dioxide. Suitable extinguishing media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. 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 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 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. Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in case of a fire. Use spark-proof tools and explosion-proof equipment. hazards: Section7. HANDLING AND STORAGE Precautions for safe handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent generation of vapour or mist. Keep away from flames and hot surfaces. Take measures to prevent the build up of electrostatic charge. Use explosion-proof equipment. Wash hands and face thoroughly after handling. Use a closed system, ventilation. 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, dark and well-ventilated place. Store away from incompatible materials such as oxidizing agents. Packaging material:Comply with laws. Section8. 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 DL-Prolinol Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION 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. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Liquid Form:Clear Colour:Colorless - Yellow Odour:No data available pH: No data available Melting point/freezing point:No data available Boiling point/range:76°C/0.3kPa Flash point:No data available Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:1.04 Solubility(ies): [Water]No data available [Other solvents]No data available Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Open flame Conditions to avoid: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx) products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available No data available Crustacea: Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil No data available Log Pow: Soil adsorption (Koc):No data available No data available Henry's Law constant(PaM3/mol): DL-Prolinol Section13. 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. 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 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 海关编码: 2933990090

合成路线

41222-21-3 ~90% 498-63-5

文献：Pattanayak, Sankha; Sinha, Surajit Tetrahedron Letters, 2011 , vol. 52, # 1 p. 34 - 37

609-36-9 ~97% 498-63-5

文献：Tang, Yi-Qiang; Lu, Jian-Mei; Wang, Xiu-Ren; Shao, Li-Xiong Tetrahedron, 2010 , vol. 66, # 40 p. 7970 - 7974

149-87-1 ~70% 498-63-5

文献：Muller; Stauss Helvetica Chimica Acta, 1982 , vol. 65, # 7 p. 2118 - 2132

2812-47-7 ~% 498-63-5

文献：Putochin Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1930 , vol. 62, p. 2209,2212 Chem. Zentralbl., 1931 , vol. 102, # II p. 441

60169-67-7 ~% 498-63-5

文献：Putochin Chemische Berichte, 1923 , vol. 56, p. 2214 Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1924 , vol. 55, p. 43

43041-12-9 ~% 498-63-5

文献：Bayer Corporation Patent: US6353006 B1, 2002 ; Location in patent: Page column 116 ; US 6353006 B1

上下游产品

上游产品  6
41222-21-3 609-36-9 43041-12-9 149-87-1
2812-47-7 60169-67-7
下游产品  10
3554-65-2 27822-68-0 23356-96-9 26116-12-1
170491-63-1 27300-27-2 67131-44-6 86954-05-4
91645-35-1 5044-50-8

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%