4-丙基苯甲醛 | 28785-06-0

• 物质功能分类: 有机原料 - 醛类化合物
• 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: 4-丙基苯甲醛
• 中文别名: 4-正丙基苯甲醛；对丙基苯甲醛；4-N-丙基苯甲醛
• 英文名称: 4-n-propylbenzaldehyde
• 英文别名: 4-propylbenzaldehyde；p-propylbenzaldehyde；[4-propylphenyl]methanone
• CAS: 28785-06-0
• 化学式: C₁₀H₁₂O
• mdl: MFCD00041870
• 分子量: 148.205
• InChiKey: MAUCRURSQMOFGV-UHFFFAOYSA-N

物化性质

• 熔点：
  19 °C
• 沸点：
  240℃
• 密度：
  1.0050 g/mL at 25 °C(lit.)
• 闪点：
  219 °F
• 溶解度：
  可溶于丙酮（少量）、DMSO（少量）、甲醇（少量）
• LogP：
  2.918 (est)
• 物理描述：
  Liquid
• 稳定性/保质期：

  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22
• WGK Germany：
  3
• RTECS号：
  CU7800000
• 海关编码：
  2912299000
• 安全说明：
  S26,S36
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302+H312+H332,H315,H319,H335
• 储存条件：
  保持贮藏器密封，并将其放入一个紧密的容器中，储存在阴凉、干燥的地方。

SDS

Name:	4-Propylbenzaldehyde 98% (Titr.) Material Safety Data Sheet
Synonym:	Benzaldehyde, 4-Propyl-
CAS:	28785-06-0

Section 1 - Chemical Product MSDS Name:4-Propylbenzaldehyde 98% (Titr.) Material Safety Data Sheet
Synonym:Benzaldehyde, 4-Propyl-

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
28785-06-0	Benzaldehyde, 4-propyl-	98	249-221-6

Hazard Symbols: XN
Risk Phrases: 22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. 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:

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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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. 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. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
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# 28785-06-0: 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 prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: colorless
Odor: aldehyde-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 108 deg C @ 9.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 93 deg C (> 199.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H12O
Molecular Weight: 148.20

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
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# 28785-06-0: CU7800000 LD50/LC50:
CAS# 28785-06-0: Oral, rat: LD50 = 1600 mg/kg.
Carcinogenicity:
Benzaldehyde, 4-propyl- - 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: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 28785-06-0: No information available.
Canada
CAS# 28785-06-0 is listed on Canada's NDSL List.
CAS# 28785-06-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 28785-06-0 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：

  4-丙基苯甲醛 在 正丁基锂 、 三苯基膦 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 52.0h， 生成 4-丙基苯乙炔
  参考文献：
  名称：

  Meng, H.-H. B.; Dalton, L. R.; Wu, S.-T., Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1994, vol. 250, p. 303 - 314

  摘要：

  DOI：
• 作为产物：
  描述：

  正丙基苯 在 palladium on activated charcoal 三氯化铝 、 三正丁胺 、 氢气 作用下， 以 三氯乙烯 、 苯 为溶剂， 反应 6.5h， 生成 4-丙基苯甲醛
  参考文献：
  名称：

  直链4-烷基苯甲醛的合成

  摘要：

  描述了通过不同方法制备不含位置和支链异构体的直链4-烷基苯甲醛的方法。报道了醛的一步制备，其涉及在Pd / C催化剂存在下将Friedel Craft's配合物直接氢化。

  DOI：

  10.1002/hlca.19820650810

文献信息

• Synthesis of novel 5,6-dehydrokawain analogs as osteogenic inducers and their action mechanisms
  作者：Momochika Kumagai、Keisuke Nishikawa、Takashi Mishima、Izumi Yoshida、Masahiro Ide、Keiko Koizumi、Munetomo Nakamura、Yoshiki Morimoto

  DOI：10.1016/j.bmcl.2017.04.016

  日期：2017.6

  protein (BMP) and activation of p38 MAPK signaling pathways. Compounds 14 and 21 also inhibited RANKL-induced osteoclast differentiation of RAW264 cells. These results indicated that novel 5,6-dehydrokawain analogs not only increase osteogenic activity but also inhibit osteoclast differentiation, and could be potential lead compounds for the development of anti-osteoporosis agents.

  破骨细胞的骨吸收和成骨细胞的骨形成之间的不平衡会导致骨丢失和骨相关疾病。在之前对增加成骨活性的天然产品的搜索中，我们发现来自 Alpinia zerumbet 的 5,6-dehydrokawain (1) 可促进成骨细胞生成。在这项研究中，我们合成并评估了一系列 5,6-dehydrokawain 类似物。我们的构效关系表明，1 芳环的对位或间位烷基化促进了成骨活性。在我们合成的潜在类似物中，(E)-6-(4-Ethylstyryl)-4-methoxy-2H-pyran-2-one (14) 和 (E)-6-(4-Butylstyryl)-4-methoxy- 2H-pyran-2-one (21) 在 10µM 时均显着上调 Runx2 和 Osterix mRNA 表达。这些成骨活性可能由骨形态发生蛋白 (BMP) 和 p38 MAPK 信号通路的激活介导。化合物 14 和 21 还抑制
• Design, Synthesis, and Structure−Activity Relationship Exploration of 1-Substituted 4-Aroyl-3-hydroxy-5-phenyl-1<i>H</i>-pyrrol-2(5<i>H</i>)-one Analogues as Inhibitors of the Annexin A2−S100A10 Protein Interaction
  作者：Tummala R. K. Reddy、Chan Li、Xiaoxia Guo、Helene K. Myrvang、Peter M. Fischer、Lodewijk V. Dekker

  DOI：10.1021/jm101212e

  日期：2011.4.14

  starting point for structure−activity studies. These confirmed the hypothetical binding mode from the virtual screen for this series of molecules. Selected compounds disrupted the physiological complex of annexin A2 and S100A10, both in a broken cell preparation and inside MDA-MB-231 breast cancer cells. Thus, this class of co