(S)-(+)-(2-甲基丁基)苯 | 40560-30-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (S)-(+)-(2-甲基丁基)苯
• 英文名称: (S)-(+)-2-Methyl-1-phenylbutan
• 英文别名: L-2-methyl-1-phenyl-butane；L-2-Methyl-1-phenyl-butan；(+)(S)-2-Methyl-1-phenyl-butan；(+)-(S)-(2-Methyl-butyl)-benzol；(+)-(S)-2-Methylbutylbenzol；[(2S)-2-methylbutyl]benzene
• CAS: 40560-30-3
• 化学式: C₁₁H₁₆
• 分子量: 148.248
• InChiKey: IFDLFCDWOFLKEB-JTQLQIEISA-N

物化性质

• 沸点：
  197.3±7.0 °C(Predicted)
• 密度：
  0.861±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2902909090

SDS

Name:	(+)-(2-Methylbutyl)benzene 99% (GC) Material Safety Data Sheet
Synonym:	None
CAS:	40560-30-3

Section 1 - Chemical Product MSDS Name:(+)-(2-Methylbutyl)benzene 99% (GC) Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
40560-30-3	Benzene, (2-methylbutyl)-, (S)-	99	unlisted

Hazard Symbols: XI
Risk Phrases: 36/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin irritation. May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
May cause respiratory tract irritation. Aspiration may lead to pulmonary edema. Can produce delayed 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:
Get medical aid. 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:
Treat symptomatically and supportively.

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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. Water may be ineffective.
Material is lighter than water and a fire may be spread by the use of water. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. 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. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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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 heat, sparks, and flame. Keep away from sources of ignition. 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# 40560-30-3: 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:
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: colorless
Odor: benzene-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 94 deg C @ 25.00mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 61 deg C ( 141.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 0.859
Molecular Formula: C11H16
Molecular Weight: 148.25

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources, 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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 40560-30-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzene, (2-methylbutyl)-, (S)- - Not listed by ACGIH, IARC, or NTP.

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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
Shipping Name: FLAMMABLE LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1993
Packing Group: III
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.3
UN Number: 1993
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/38 Irritating to eyes and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 40560-30-3: No information available.
Canada
CAS# 40560-30-3 is listed on Canada's NDSL List.
CAS# 40560-30-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 40560-30-3 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：

  (S)-(+)-(2-甲基丁基)苯 在 溶剂黄146 、 铂 作用下， 生成 (+)(S)-(2-methyl-butyl)-cyclohexane
  参考文献：
  名称：

  Levene; Marker, Journal of Biological Chemistry, 1935, vol. 110, p. 299,303

  摘要：

  DOI：
• 作为产物：
  描述：

  (S)-(+)-2-甲基丁酸 生成 (S)-(+)-(2-甲基丁基)苯
  参考文献：
  名称：

  Nitrene Insertion into a C-H Bond at an Asymmetric Carbon Atom with Retention of Optical Activity. Thermally Generated Nitrenes

  摘要：

  DOI：

  10.1021/ja01069a022

文献信息

• 9-Borabicyclo[3.3.2]decanes and the Asymmetric Hydroboration of 1,1-Disubstituted Alkenes
  作者：Ana Z. Gonzalez、José G. Román、Eduvigis Gonzalez、Judith Martinez、Jesus R. Medina、Karl Matos、John A. Soderquist

  DOI：10.1021/ja803119p

  日期：2008.7.1

  The syntheses of the optically pure asymmetric hydroborating agents 1 (a, R = Ph; b, R = TMS) in both enantiomeric forms are reported. These reagents are effective for the hydroboration of cis-, trans- and trisubstituted alkenes. More significantly, they exhibit unprecedented levels of selectivity in the asymmetric hydroboration of 1,1-disubstituted alkenes (28-92% ee), a previously unanswered challenge

  报道了两种对映体形式的光学纯不对称硼氢化剂 1 (a, R = Ph; b, R = TMS) 的合成。这些试剂对顺式、反式和三取代烯烃的硼氢化反应有效。更重要的是，它们在 1,1-二取代烯烃 (28-92% ee) 的不对称硼氢化反应中表现出前所未有的选择性，这是该试剂控制过程近 50 年历史中从未解决的挑战。例如，α-甲基苯乙烯与 1a 的硼氢化反应在 78% ee（参见 Ipc2BH，5% ee）中产生相应的醇 6f。中间加合物 5 的 Suzuki 偶联非常有效地（50-84%）产生非外消旋产物 7，而不会损失光学纯度。
• Low-Magnitude Mechanical Loading Becomes Osteogenic When Rest Is Inserted Between Each Load Cycle
  作者：Sundar Srinivasan、David A. Weimer、Steven C. Agans、Steven D. Bain、Ted S. Gross

  DOI：10.1359/jbmr.2002.17.9.1613

  日期：——

  Strategies to counteract bone loss with exercise have had fairly limited success, particularly those regimens subjecting the skeleton to mild activity such as walking. In contrast, here we show that it is possible to induce substantial bone formation with low‐magnitude loading. In two distinct in vivo models of bone adaptation, we found that insertion of a 10‐s rest interval between each load cycle transformed a locomotion‐like loading regime that minimally influenced osteoblast activity into a potent anabolic stimulus. In the avian ulna model, the minimal mean (+SE) periosteal labeled surface (Ps.LS) observed in the intact contralateral bones (1.6 ± 1.5%) was doubled after 3 consecutive days of low‐magnitude loading (3.8 ± 1.5%; p = 0.03). However, modifying the regimen by inserting 10 s of rest between each load cycle significantly enhanced the periosteal response (21.9 + 4.5%; p = 0.03). In the murine tibia model, 5 consecutive days of 100 low‐magnitude loading cycles did not significantly alter mean periosteal bone formation rate (BFR) compared with contralateral bones (0.011 ± 0.005 μm3/μm2 per day vs. 0.021 ± 0.013 μm3/μm2 per day). In contrast, separating each of 10 of the same loading cycles with 10 s of rest significantly elevated periosteal BFR (0.167 ± 0.049 μm3/μm2 per day; p = 0.01). Endocortical bone formation parameters were not altered by any loading regimen in either model. We conclude that 10 s of rest between each load cycle of a low‐magnitude loading protocol greatly enhances the osteogenic potential of the regimen.

  通过运动来抵消骨质流失的策略取得的成功相当有限，尤其是那些让骨骼进行轻微活动（如散步）的方案。与此相反，我们在这里展示了通过低强度负荷诱导大量骨形成的可能性。在两种不同的体内骨适应模型中，我们发现，在每个负荷周期之间插入 10 秒钟的休息时间，可将对成骨细胞活动影响最小的类似运动的负荷机制转变为一种强有力的合成代谢刺激。在鸟类尺骨模型中，连续 3 天的低强度加载后，在完整对侧骨中观察到的最小平均（+SE）骨膜标记面（Ps.LS）（1.6 ± 1.5%）增加了一倍（3.8 ± 1.5%；P = 0.03）。然而，通过在每个加载周期之间插入 10 秒钟的休息时间来改变加载方案，则可显著增强骨膜反应（21.9 + 4.5%；p = 0.03）。在小鼠胫骨模型中，与对侧骨（每天 0.011 ± 0.005 μm3/μm2 与每天 0.021 ± 0.013 μm3/μm2 相比）相比，连续 5 天 100 次低强度加载循环并不会显著改变平均骨膜骨形成率（BFR）。相比之下，在 10 个相同的加载周期中，每个周期休息 10 秒钟可显著提高骨膜 BFR（每天 0.167 ± 0.049 μm3/μm2; p = 0.01）。在这两种模型中，任何加载方案都不会改变皮质内骨形成参数。我们的结论是，在低强度加载方案的每个加载周期之间休息 10 秒可大大提高该方案的成骨潜力。
• Iridium-Catalyzed Enantioselective Transfer Hydrogenation of 1,1-Dialkylethenes with Ethanol: Scope and Mechanism
  作者：Lu Qian、Cui Yu、Lan Gan、Xixia Tang、Yulei Wang、Guixia Liu、Xuebing Leng、Zhao Sun、Yinlong Guo、Xiao-Song Xue、Zheng Huang

  DOI：10.1021/jacs.3c12985

  日期：2024.2.7

  NOx) via a ligand-remetalation pathway. The catalyst deactivation under the hydrogenation conditions with H2 is much faster than that under the transfer hydrogenation conditions with EtOH, which explains why the (PCNOx)Ir catalyst is effective for the transfer hydrogenation but ineffective for the hydrogenation. The suppression of di-to-trisubstituted alkene isomerization by regioselective 1,2-insertion

  尽管过渡金属催化的不对称烯烃氢化领域取得了半个世纪的进步，但纯烷基取代的1,1-二烷基乙烯的对映选择性氢化仍然是一个未解决的挑战。在此，我们描述了一种手性 PCN Ox -钳铱络合物，用于用乙醇对此类烯烃进行不对称转移氢化，提供全烷基取代的叔立体中心。在底物与仲/伯和伯/伯烷基组合的反应中可以实现高水平的对映选择性。该催化剂进一步应用于二取代烯醇的氧化还原异构化，产生远离所得羰基的叔立体中心。机理研究揭示了二氢化物 (PCN Ox )Ir(H) 2作为催化活性中间体，可以衰变成二聚体 (κ 3 -PCN Ox )IrH(μ-H) 2 IrH(κ 2 -PCN) Ox ) 通过配体重金属化途径。 H 2加氢条件下的催化剂失活比EtOH转移加氢条件下的催化剂失活快得多，这解释了为什么(PCN Ox )Ir催化剂对转移加氢有效但对加氢无效。通过区域选择性 1,2-插入抑制二取代到三取代的烯烃异构
• Heppke, Gerd; Marschall, Helga; Nuernberg, Peter, Chemische Berichte, 1981, vol. 114, # 7, p. 2501 - 2518
  作者：Heppke, Gerd、Marschall, Helga、Nuernberg, Peter、Oestreicher, Feodor、Scherowsky, Guenter

  DOI：——

  日期：——
• The Optical Rotation of 2-Chlorobutane
  作者：Robert L. Letsinger、Lucien G. Maury、Robert L. Burwell

  DOI：10.1021/ja01149a527

  日期：1951.5