beta-环氧蒎烷 | 6931-54-0

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: beta-环氧蒎烷
• 中文别名: β－环氧蒎烷；6,6-二甲基螺旋[二环[3.1.1]庚-2,2’-环氧乙烷]；(+)-Β-蒎烯氧化物；6,6-二甲基螺[二环[3.1.1]庚-2,2"-环氧乙烷]
• 英文名称: β-pinene oxide
• 英文别名: beta-pinene epoxide；2,10-Epoxypinane；6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
• CAS: 6931-54-0
• 化学式: C₁₀H₁₆O
• mdl: MFCD00001344
• 分子量: 152.236
• InChiKey: OUXAABAEPHHZPC-UHFFFAOYSA-N

物化性质

• 比旋光度：
  6.5 º (neat)
• 沸点：
  98-100 °C (27 mmHg)
• 密度：
  0.97
• 闪点：
  66 °C
• LogP：
  2.384 (est)
• 保留指数：
  1143;1119;1146;1146
• 稳定性/保质期：
  存在于主流烟气中。

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2910900090
• 安全说明：
  S26,S37/39
• 储存条件：
  密封储存，应存放在阴凉干燥的库房中。

SDS

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

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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.

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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.

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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:

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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.

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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.

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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.

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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.

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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

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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

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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.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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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.

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  beta-环氧蒎烷 在 MK₁₀ 作用下， 反应 1.0h， 以38%的产率得到紫苏醇
  参考文献：
  名称：

  使用 Ecocatalyst Toolbox 开发环状氧萜的可持续合成新路线

  摘要：

  环氧萜烯是天然产物，主要被化妆品、食品和制药行业用作香料、香料和药物。然而，只有少数环氧萜烯可以通过化学合成获得，这远非环保。我们在这里报告了从β-蒎烯衍生的六种环状氧萜的合成，同时尊重绿色和可持续化学的原则。仅在针对每次合成进行优化的温和条件下使用天然或生物来源的催化剂。新一代生态催化剂源自富含锰的水生菜，通过绿色工艺制备，通过 MP-AES、XRPD 和 TEM 分析进行表征，并进行催化测试。 β-蒎烯的环氧化产生了平台分子β-蒎烯氧化物，具有良好的收率，说明了新一代生态催化剂的功效。在绿色条件下研究了开放的β-蒎烯氧化物，并导致了桃金娘烯醇、7-羟基-α-萜品醇和紫苏醇的新的区域选择性合成。紫苏醇的连续氧化可以在不使用危险氧化剂的情况下进行，并使用产生紫苏醛和异丙苯醛的新一代生态催化剂进行控制。

  DOI：

  10.3390/molecules26237194
• 作为产物：
  描述：

  beta-pinene 在 过氧化氢苯甲酰 、 乙醚 作用下， 生成 beta-环氧蒎烷
  参考文献：
  名称：

  Faidutti, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1929, vol. 189, p. 855

  摘要：

  DOI：

文献信息

• [EN] PEPTIDOMIMETICS FOR THE TREATMENT OF CORONAVIRUS AND PICORNAVIRUS INFECTIONS<br/>[FR] PEPTIDOMIMÉTIQUES POUR LE TRAITEMENT D'INFECTIONS PAR CORONAVIRUS ET PICORNAVIRUS
  申请人：UNIV EMORY

  公开号：WO2020247665A1

  公开（公告）日：2020-12-10

  Compounds, compositions and methods for preventing, treating or curing a coronavirus, picornavirus, and/or Hepeviridae virus infection in human subjects or other animal hosts. Specific viruses that can be treated include enteroviruses. In one embodiment, the compounds can be used to treat an infection with a severe acute respiratory syndrome virus, such as human coronavirus 229E, SARS, MERS, SARS-CoV-1 (OC43), and SARS-CoV- 2. In another embodiment, the methods are used to treat a patient co-infected with two or more of these viruses, or a combination of one or more of these viruses and norovirus.

  用于预防、治疗或治愈人类主体或其他动物宿主中的冠状病毒、小RNA病毒和/或肝炎病毒感染的化合物、组合物和方法。可治疗的特定病毒包括肠病毒。在一个实施例中，这些化合物可用于治疗严重急性呼吸综合征病毒感染，如人类冠状病毒229E、SARS、MERS、SARS-CoV-1（OC43）和SARS-CoV-2。在另一个实施例中，这些方法用于治疗患有两种或更多这些病毒的患者，或一种或多种这些病毒与诺如病毒的组合。
• METHOD FOR MANUFACTURING AN EPOXY COMPOUND AND METHOD FOR EPOXIDIZING A CARBON-CARBON DOUBLE BOND
  申请人：Takumi Kiyoshi

  公开号：US20120108830A1

  公开（公告）日：2012-05-03

  The present invention provides a method for producing an epoxy compound, comprising oxidizing a carbon-carbon double bond of an organic compound by hydrogen peroxide in the presence of a neutral inorganic salt and a mixed catalyst of a tungsten compound (a), at least one phosphorus compound selected from the group consisting of phosphoric acids, phosphonic acids, and salts thereof (b) and a surfactant (c), and an epoxidizing method comprising oxidizing a carbon-carbon double bond by hydrogen peroxide in the presence of the catalyst and the neutral inorganic salt.

  本发明提供了一种生产环氧化合物的方法，包括在中性无机盐和钨化合物（a）、磷酸、膦酸及其盐（b）和表面活性剂（c）的混合催化剂存在下，通过过氧化氢氧化有机化合物的碳-碳双键，以及一种环氧化方法，包括在催化剂和中性无机盐存在下，通过过氧化氢氧化碳-碳双键。
• [EN] PROCESS FOR PRODUCING DIHYDROISOQUINOLINE ZWITTERIONS<br/>[FR] PROCEDE DE PRODUCTION DE ZWITTERIONS DE DIHYDROISOQUINOLINE
  申请人：PROCTER & GAMBLE

  公开号：WO2005047264A1

  公开（公告）日：2005-05-26

  This invention relates to a preparation of zwitterionic sulfates of substituted or unsubstituted 3, 4-dihydroisoquinoline.

  这项发明涉及制备取代或未取代3,4-二氢异喹啉的带电离子硫酸盐。
• ALKALI-DEVELOPABLE PHOTOSENSITIVE RESIN COMPOSITION AND BETA-DIKETONE COMPOUND
  申请人：Yamada Takashi

  公开号：US20100129753A1

  公开（公告）日：2010-05-27

  An alkali developable photosensitive resin composition contains (J) a photopolymerizable unsaturated compound having a structure resulting from the addition reaction of (B) a compound having a β-diketone moiety or a compound having a β-ketoester group to the (meth)acryloyl group of (A) a compound having at least two (meth)acryloyl groups and a hydroxyl group and subsequent esterification of the hydroxyl group of the resulting addition product with (C) a polybasic acid anhydride. The compound having a β-diketone moiety is preferably a novel β-diketone compound represented by general formula (I): wherein R 1 is a C1-C20 alkyl group; R 2 represents R 11 , OR 11 , COR 11 , SR 11 , CONR 12 R 13 , or CN; R 11 , R 12 , and R 13 are each hydrogen, a C1-C20 alkyl group, etc.; a is 0 to 3; and b is 0 to 4.

  一种可由碱显影的光敏树脂组合物，含有（J）一种光聚合不饱和化合物，该化合物的结构是由（B）含β-二酮基团或含β-酮酯基团的化合物与（A）含至少两个(甲基)丙烯酰基团和一个羟基的化合物中的(甲基)丙烯酰基团发生加成反应，并随后将所得加成产物的羟基与（C）多元酸酐进行酯化反应得到的。含β-二酮基团的化合物最好是表示为通用公式（I）的一种新型β-二酮化合物：其中R1是C1-C20烷基团；R2代表R11、OR11、COR11、SR11、CONR12R13或CN；R11、R12和R13分别是氢、C1-C20烷基团等；a是0到3；b是0到4。
• [EN] PEPTIDOMIMETICS FOR THE TREATMENT OF NOROVIRUS INFECTION<br/>[FR] PEPTIDOMIMÉTIQUES POUR LE TRAITEMENT D'UNE INFECTION À NOROVIRUS
  申请人：UNIV EMORY

  公开号：WO2017197377A1

  公开（公告）日：2017-11-16

  The present invention is directed to compounds, compositions and methods for preventing, treating or curing Norovirus infection in human subjects or other animal hosts.

  本发明涉及用于预防、治疗或治愈人类主体或其他动物宿主中的诺如病毒感染的化合物、组合物和方法。

表征谱图