4221-03-8

• 常用中文名：5-羟基戊醛
• 常用英文名：5-Hydroxypentanal
• CAS号：4221-03-8
• 分子式：C₅H₁₀O₂
• 分子量：102.132
• 发布时间：2018-08-03 04:44:19
• 更新时间：2024-01-08 09:08:17

名称

• 中文名: 5-羟基戊醛
• 英文名: 5-hydroxypentanal
• 英文别名: EINECS 224-165-5; 5-Hydroxyvaleraldehyde; 5-Hydroxypentanal; Pentanal, 5-hydroxy-; 5-Hydroxy pentanal; Pentanal,5-hydroxy

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 187.7±23.0 °C at 760 mmHg
• 分子式: C₅H₁₀O₂
• 分子量: 102.132
• 闪点: 72.0±15.2 °C
• 精确质量: 102.068077
• PSA: 37.30000
• LogP: -0.60
• 外观性状: 液体
• 蒸汽压: 0.2±0.8 mmHg at 25°C
• 折射率: 1.422
• 储存条件: 2-8°C
• 分子结构:

  1、摩尔折射率：26.93

  2、摩尔体积（cm³/mol）：105.8

  3、等张比容（90.2K）：256.6

  4、表面张力（dyne/cm）：34.5

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：10.67

  7、单一同位素质量：102.06808Da

  8、标称质量：102Da

  9、平均质量：102.1317Da

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：-0.3

  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：2

  6、 拓扑分子极性表面积（TPSA）：37.3

  7、 重原子数量：7

  8、 表面电荷：0

  9、 复杂度：43.3

  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.相对密度（25℃，4℃）：1.0537

  2.常温折射率（n²⁰）：1.4530

  3.常温折射率（n ²⁵）：1.4513

MSDS

Name: 5-Hydroxypentanal Tech. Material Safety Data Sheet Synonym: 5-Hydroxyvaleraldehyd CAS: 4221-03-8 Section 1 - Chemical Product MSDS Name:5-Hydroxypentanal Tech. Material Safety Data Sheet Synonym:5-Hydroxyvaleraldehyd Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 4221-03-8 5-Hydroxypentanal 100 224-165-5 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. The toxicological properties of this material have not been fully investigated. Skin: May cause skin irritation. The toxicological properties of this material have not been fully investigated. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Containers may explode in the heat of a fire. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 4221-03-8: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions. Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: clear, colorless Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 115 deg C @ 15.00mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 112 deg C (> 233.60 deg F) Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.0550g/cm3 Molecular Formula: C5H10O2 Molecular Weight: 102.13 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4221-03-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-Hydroxypentanal - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 4221-03-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4221-03-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4221-03-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): F+
• 安全声明 (欧洲): S24/25
• 危险品运输编码: 1993.0
• 海关编码: 2912491000

合成路线

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海关

海关编码	2912491000
中文概述	2912491000. 醛醇. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
Summary	2912491000. other aldehyde-alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%