80696-29-3

• 常用中文名：(S)-(+)-2-氨基-1-己醇
• 常用英文名：(S)-2-Aminohexan-1-ol
• CAS号：80696-29-3
• 分子式：C₆H₁₅NO
• 分子量：117.189
• 发布时间：2019-02-22 10:12:52
• 更新时间：2025-08-25 11:42:06
• 下载msds

名称

• 中文名: (S)-(+)-2-氨基-1-己醇
• 英文名: l-norleucinol
• 中文别名: L-己氨醇
• 英文别名: MFCD02683226; 1-Hexanol, 2-amino-, (2S)-; (2S)-2-aminohexan-1-ol; (2S)-2-Amino-1-hexanol; (S)-(+)-2-Amino-1-hexanol

物化性质

• 密度: 0.9±0.1 g/cm3
• 沸点: 191.9±0.0 °C at 760 mmHg
• 熔点: 35-40ºC(lit.)
• 分子式: C₆H₁₅NO
• 分子量: 117.189
• 闪点: 100.0±0.0 °C
• 精确质量: 117.115364
• PSA: 46.25000
• LogP: 0.63
• 蒸汽压: 0.1±0.8 mmHg at 25°C
• 折射率: 1.453
• 储存条件: 2-8°C
• 计算化学:

  1、 疏水参数计算参考值（XlogP）：0.5

  2、 氢键供体数量：2

  3、 氢键受体数量：1

  4、 可旋转化学键数量：4

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：47.9

  7、 重原子数量：8

  8、 表面电荷：1

  9、 复杂度：47.8

  10、同位素原子数量：0

  11、确定原子立构中心数量：1

  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

MSDS

Name: L-Norleucinol Material Safety Data Sheet Synonym: (S)-(+)-2-Amino-1-hexano CAS: 80696-29-3 Section 1 - Chemical Product MSDS Name:L-Norleucinol Material Safety Data Sheet Synonym:(S)-(+)-2-Amino-1-hexano Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 80696-29-3 L-Norleucinol unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with 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: Treat symptomatically and supportively. 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 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. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. 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 adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 80696-29-3: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: 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: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 216 deg C @760mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 99 deg C ( 210.20 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C6H15NO Molecular Weight: 117.19 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 80696-29-3 unlisted. LD50/LC50: Not available. Carcinogenicity: L-Norleucinol - 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: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 80696-29-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 80696-29-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 80696-29-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2922199090

合成路线

157985-13-2 ~77% 80696-29-3

文献：Segat-Dioury, Fabienne; Lingibe, Olivier; Graffe, Bernadette; Sacquet, Marie-Claude; Lhommet, Gerard Tetrahedron, 2000 , vol. 56, # 2 p. 233 - 248

157985-04-1 ~% 80696-29-3

文献：Segat-Dioury, Fabienne; Lingibe, Olivier; Graffe, Bernadette; Sacquet, Marie-Claude; Lhommet, Gerard Tetrahedron, 2000 , vol. 56, # 2 p. 233 - 248

261963-25-1 ~% 80696-29-3

文献：Segat-Dioury, Fabienne; Lingibe, Olivier; Graffe, Bernadette; Sacquet, Marie-Claude; Lhommet, Gerard Tetrahedron, 2000 , vol. 56, # 2 p. 233 - 248

5665-74-7 ~% 80696-28-2 80696-29-3

文献：BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; ARMSTRONG, Daniel, W.; PING, Sun; BREITBACH, Zachary, S.; WANG, Chunlei Patent: WO2010/148191 A2, 2010 ; Location in patent: Page/Page column 45-49; 59 ;

327-57-1 ~% 80696-29-3

文献：Rinaldi, Peter L.; Wilk, Melody Journal of Organic Chemistry, 1983 , vol. 48, # 13 p. 2141 - 2146

20261-68-1 ~% 80696-29-3

文献：Segat-Dioury, Fabienne; Lingibe, Olivier; Graffe, Bernadette; Sacquet, Marie-Claude; Lhommet, Gerard Tetrahedron, 2000 , vol. 56, # 2 p. 233 - 248

327-57-1 501-53-1 ~% 80696-29-3

文献：Takahata, Hiroki; Takehara, Hiroyuki; Ohkubo, Naoki; Momose, Takefumi Tetrahedron: Asymmetry, 1990 , vol. 1, # 8 p. 561 - 566

21754-55-2 ~% 80696-29-3

文献：Braconnier, M.F.; Braekman, J.C.; Daloze, D. Bulletin des Societes Chimiques Belges, 1985 , vol. 94, # 8 p. 605 - 614

海关

海关编码	2922199090
中文概述	2922199090. 其他氨基醇及其醚，酯和它们的盐（但含一种以上含氧基的除外）. 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:30.0%
申报要素	品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
Summary	2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%