6931-54-0

• 常用中文名：6,6-二甲基螺[二环[3.1.1]庚-2,2'-环氧乙烷]
• 常用英文名：2,10-epoxypinane
• CAS号：6931-54-0
• 分子式：C₁₀H₁₆O
• 分子量：152.233
• 发布时间：2018-03-23 08:00:00
• 更新时间：2025-08-25 17:36:51

名称

• 中文名: beta-环氧蒎烷
• 英文名: (+)-β-Pinene oxide
• 中文别名: (+)-Β-蒎烯氧化物; 6,6-二甲基螺旋[二环[3.1.1]庚-2,2’-环氧乙烷]
• 英文别名: Pinane,2,10-epoxy; 2,10-epoxypinane; Spiro[bicyclo[3.1.1]heptane-2,2'-oxirane], 6,6-dimethyl-, (1S,5R)-; 2,10-epoxy-pinan; Pinan; EINECS 230-055-8; (1S,5R)-6,6-Dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]; MFCD00074769

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 202.1±0.0 °C at 760 mmHg
• 分子式: C₁₀H₁₆O
• 分子量: 152.233
• 闪点: 54.4±15.3 °C
• 精确质量: 152.120117
• PSA: 12.53000
• LogP: 2.16
• 外观性状: 透明无色液体
• 蒸汽压: 0.4±0.3 mmHg at 25°C
• 折射率: 1.514
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性:

  1. 存在于主流烟气中。

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：2.1

  2、 氢键供体数量：0

  3、 氢键受体数量：1

  4、 可旋转化学键数量：0

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：12.5

  7、 重原子数量：11

  8、 表面电荷：0

  9、 复杂度：209

  10、 同位素原子数量：0

  11、 确定原子立构中心数量：3

  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：无色透明液体

  2. 密度（g/mL,25℃）：0.97

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，27mmHg）：98-100

  7. 折射率(n20/D)：1.476-1.481

  8. 闪点（ºC）：66

  9. 比旋光度（º）：6.5

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mmHg,217ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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

Name: (+)-beta-Pinene oxide tech. 75% Material Safety Data Sheet Synonym: Spiro(Bicyclo(3.1.1)Heptane-2,2'-Oxirane), 6,6-Dimethyl- (9CI); 2,10-Epoxypinane CAS: 6931-54-0 Section 1 - Chemical Product MSDS Name:(+)-beta-Pinene oxide tech. 75% Material Safety Data Sheet Synonym:Spiro(Bicyclo(3.1.1)Heptane-2,2'-Oxirane), 6,6-Dimethyl- (9CI); 2,10-Epoxypinane Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 6931-54-0 (+)-beta-Pinene oxide 75 230-055-8 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. May cause chemical conjunctivitis and corneal damage. Skin: May cause irritation and dermatitis. May cause cyanosis of the extremities. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Ingestion of large amounts may cause central nervous depression. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation. Chronic: Effects may be delayed. Section 4 - FIRST AID MEASURES Eyes: Immediately 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. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. 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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Runoff from fire control or dilution water may cause pollution. Combustible liquid and vapor. Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Keep away from heat and flame. Storage: Keep away from sources of ignition. 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 adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 6931-54-0: 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 minimize contact with skin. 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: clear, colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 98 - 100 deg C @ 27.00mmHG Freezing/Melting Point: Not available. Autoignition Temperature: Not applicable. Flash Point: 66 deg C ( 150.80 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: .9760g/cm3 Molecular Formula: C10H16O Molecular Weight: 152.24 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Ignition sources, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents, strong acids, strong bases. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 6931-54-0: TK4570000 LD50/LC50: Not available. Carcinogenicity: (+)-beta-Pinene oxide - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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. WGK (Water Danger/Protection) CAS# 6931-54-0: No information available. Canada CAS# 6931-54-0 is listed on Canada's DSL List. CAS# 6931-54-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6931-54-0 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、 致突变性 大肠杆菌突变：1mmol/L； 仓鼠肺的姐妹染色单体交换：125μmol/L； CHEMICAL IDENTIFICATION RTECS NUMBER : TK4570000 CHEMICAL NAME : Pinane, 2,10-epoxy- CAS REGISTRY NUMBER : 6931-54-0 BEILSTEIN REFERENCE NO. : 0105830 LAST UPDATED : 199701 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C10-H16-O MOLECULAR WEIGHT : 152.26 HEALTH HAZARD DATA ACUTE TOXICITY DATA MUTATION DATA TYPE OF TEST : Sister chromatid exchange TEST SYSTEM : Rodent - hamster Lung DOSE/DURATION : 125 umol/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 249,55,1991

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S37/39
• 海关编码: 2910900090

合成路线

177698-19-0 ~70% 6931-54-0

文献：Xie, Gaoyang; Xu, Linxiao; Hu, Jun; Ma, Shiming; Hou, Wei; Tao, Fenggang Tetrahedron Letters, 1988 , vol. 29, # 24 p. 2967 - 2968

177698-19-0 ~% 6931-54-0 16812-40-1 547-61-5 详细

文献：Applied Catalysis A: General, , vol. 419-420, p. 215 - 220

177698-19-0 ~% 6931-54-0 188559-20-8

文献：Tetrahedron Letters, , vol. 38, # 7 p. 1235 - 1238

177698-19-0 ~% 6931-54-0 515-00-4

文献：Catalysis Today, , vol. 157, # 1-4 p. 364 - 370

18172-67-3 ~% 6931-54-0

文献：Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 189, p. 855 Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, , vol. 61, p. 463 Chem. Zentralbl., , vol. 100, # II p. 2556

177698-19-0 ~% 6931-54-0 24903-95-5 5502-74-9 详细

文献：Advanced Synthesis and Catalysis, , vol. 352, # 10 p. 1771 - 1778

上下游产品

上游产品  1
18172-67-3
下游产品  10
18031-40-8 536-59-4 4764-14-1 515-00-4
13674-19-6 13828-37-0 23635-14-5 5502-74-9
5503-12-8 57717-97-2

海关

海关编码	2910900090
中文概述	2910900090. 三节环环氧化物，环氧醇（酚，醚），包括其卤化，磺化，硝化或亚硝化的衍生物. 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	2910900090. epoxides, epoxyalcohols, epoxyphenols and epoxyethers, with a three-membered ring, and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%