775-64-4

• 常用中文名：2-(1-金刚烷基)-2-丙醇
• 常用英文名：2-(1-Adamantyl)-2-propanol
• CAS号：775-64-4
• 分子式：C₁₃H₂₂O
• 分子量：194.313
• 发布时间：2018-08-11 19:58:54
• 更新时间：2024-01-02 19:46:46

名称

• 中文名: 2-(1-金刚烷基)-2-丙醇
• 英文名: 2-Adamantan-1-yl-propan-2-ol
• 中文别名: 2-(1-金刚烷)-2-丙醇
• 英文别名: Tricyclo[3.3.1.1]decane-1-methanol, α,α-dimethyl-; 2-(1-Adamantyl)-2-propanol; 2-(Adamantan-1-yl)-2-propanol; 2-(adamantan-1-yl)propan-2-ol; 2-(1-Adamantyl)propan-2-ol; 2-[1-Adamantyl]propan-2-ol

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 276.2±8.0 °C at 760 mmHg
• 熔点: 75ºC
• 分子式: C₁₃H₂₂O
• 分子量: 194.313
• 闪点: 127.9±8.6 °C
• 精确质量: 194.167068
• PSA: 20.23000
• LogP: 3.39
• 蒸汽压: 0.0±1.3 mmHg at 25°C
• 折射率: 1.543
• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.1

  2.氢键供体数量:1

  3.氢键受体数量:1

  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:20.2

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:213

  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

MSDS

Name: 2-(1-Adamantyl)propan-2-ol 97% Material Safety Data Sheet Synonym: CAS: 775-64-4 Section 1 - Chemical Product MSDS Name:2-(1-Adamantyl)propan-2-ol 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 775-64-4 2-(1-Adamantyl)propan-2-ol 97% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause 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. 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: Vacuum or sweep up material and place into a suitable disposal 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 775-64-4: 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: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 75 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Specific Gravity/Density: Molecular Formula: C13H22O Molecular Weight: 194 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 775-64-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-(1-Adamantyl)propan-2-ol - 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 No information available. IMO No information available. RID/ADR No information available. 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. WGK (Water Danger/Protection) CAS# 775-64-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 775-64-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 775-64-4 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): Xi
• 安全声明 (欧洲): S24/25
• 海关编码: 2906199090

合成路线

57680-77-0 67-64-1 ~34% 775-64-4

文献：Yurchenko, A. G.; Fedorenko, T. V. Journal of Organic Chemistry USSR (English Translation), 1987 , vol. 23, # 5 p. 875 - 880 Zhurnal Organicheskoi Khimii, 1987 , vol. 23, # 5 p. 970 - 976

773-33-1 1148-11-4 ~0% 775-64-4 124980-30-9 详细

文献：Mutulis, F. K.; Polis, Ya. Yu.; Raquel', B. P.; Sekatsis, I. P.; Mishnev, A. F.; Chipens, G. I. Journal of Organic Chemistry USSR (English Translation), 1989 , vol. 25, # 3.2 p. 501 - 506 Zhurnal Organicheskoi Khimii, 1989 , vol. 25, # 3 p. 558 - 565

917-54-4 2094-72-6 ~37% 775-64-4 82094-53-9

文献：Molecules, , vol. 17, # 6 p. 6415 - 6423

917-54-4 1660-04-4 ~% 775-64-4

文献：Journal of Organic Chemistry, , vol. 53, # 2 p. 432 - 434

917-64-6 2094-73-7 ~83% 775-64-4

文献：Flamm-ter Meer, Manuela A.; Beckhaus, Hans-Dieter; Peters, Karl; Schnering, Hans-Georg von; Ruechardt, Christoph Chemische Berichte, 1985 , vol. 118, # 12 p. 4665 - 4673

2094-73-7 ~85% 775-64-4

文献：Heinzel, Wolfgang; Kronbach, Thomas; Voelter, Wolfgang Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1982 , vol. 37, # 12 p. 1652 - 1658

768-90-1 ~% 775-64-4

文献：Journal of Organic Chemistry USSR (English Translation), , vol. 23, # 5 p. 875 - 880 Zhurnal Organicheskoi Khimii, , vol. 23, # 5 p. 970 - 976

75-16-1 2094-72-6 ~% 775-64-4

文献：Journal of medicinal chemistry, , vol. 14, # 6 p. 535 - 543

2094-73-7 74-88-4 ~% 775-64-4

文献：Tetrahedron, , vol. 27, p. 3 - 18

上下游产品

上游产品  10
57680-77-0 67-64-1 773-33-1 1148-11-4
917-54-4 2094-72-6 1660-04-4 917-64-6
2094-73-7 768-90-1
下游产品  6
880-49-9 1660-04-4 120626-27-9 773-32-0
773-33-1 68388-88-5

海关

海关编码	2906199090
中文概述	2906199090. 其他环烷醇，环烯醇及环萜烯醇. 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%
申报要素	品名, 成分含量, 用途
Summary	2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%