3,5-二丙氧基苯酚 | 28334-99-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3,5-二丙氧基苯酚
• 中文别名: 反式-2-羟甲基-1-环己胺盐酸盐
• 英文名称: phloroglucinol dipropyl ether
• 英文别名: 3,5-dipropoxyphenol；3,5-Dipropoxy-phenol；Phloroglucin-dipropylether
• CAS: 28334-99-8
• 化学式: C₁₂H₁₈O₃
• mdl: MFCD00143077
• 分子量: 210.273
• InChiKey: SHZCHGMKOUMNAW-UHFFFAOYSA-N

物化性质

• 熔点：
  43-48 °C
• 沸点：
  309.8°C (rough estimate)
• 密度：
  1.0733 (rough estimate)
• 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)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S28A
• 危险类别码：
  R34
• 海关编码：
  2909500000
• 储存条件：
  存放于阴凉干燥处。

SDS

Name:	3 5-Dipropoxyphenol 97% (GC) Material Safety Data Sheet
Synonym:	Phenol, 3,5-Dipropoxy-
CAS:	28334-99-8

Section 1 - Chemical Product MSDS Name:3 5-Dipropoxyphenol 97% (GC) Material Safety Data Sheet
Synonym:Phenol, 3,5-Dipropoxy-

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
28334-99-8	Phenol, 3,5-Dipropoxy-	97	248-974-8

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated.
Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Get medical aid immediately. 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. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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.
Extinguishing Media:
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Discard contaminated shoes.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.

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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# 28334-99-8: 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: Mass
Color: light brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 43-48 C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C12H18O3
Molecular Weight: 210.27

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, 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# 28334-99-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Phenol, 3,5-Dipropoxy- - 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: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
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# 28334-99-8: No information available.
Canada
CAS# 28334-99-8 is listed on Canada's NDSL List.
CAS# 28334-99-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 28334-99-8 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：

  α-溴-4-氯苯乙酸 、 3,5-二丙氧基苯酚 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以67%的产率得到(4-chlorophenyl)-(3,5-dipropoxyphenoxy)-acetic acid
  参考文献：
  名称：

  [DE] NEUE CYLOPENTA[B]BENZOFURAN-DERIVATE UND IHRE VERWENDUNG
  [EN] NOVEL CYLOPENTA[B]BENZOFURAN DERIVATIVES AND THE UTILIZATION THEREOF
  [FR] NOUVEAUX DERIVES DE CYLOPENTA[B]BENZOFURANE ET LEUR UTILISATION

  摘要：

  公开号：

  WO2005113529A3
• 作为产物：
  描述：

  丙醇 、 间苯三酚 在 盐酸 作用下， 反应 6.0h， 以80.9%的产率得到3,5-二丙氧基苯酚
  参考文献：
  名称：

  Kirillova, K. M.; Skvortsova, T. A.; Nikonova, L. Z., Journal of Organic Chemistry USSR (English Translation), 1992, vol. 28, # 3.1, p. 427 - 430

  摘要：

  DOI：

文献信息

• BROMODOMAIN INHIBITORS FOR TREATING DISEASE
  申请人：Board of Regents, The University of Texas System

  公开号：US20160060260A1

  公开（公告）日：2016-03-03

  Disclosed herein are compounds and compositions useful in the treatment of bromodomain-containing protein-mediated diseases, such as cancer, having the structure of Formula I: Methods of inhibiting activity of a bromodomain-containing protein in a human or animal subject are also provided.

  本文披露了一种在治疗溴结构域含蛋白介导的疾病（如癌症）中有用的化合物和组合物，其具有Formula I的结构： 还提供了一种抑制人类或动物主体中溴结构域含蛋白活性的方法。
• Cofacial Dicobalt Complex of a Binucleating Hexacarboxamide Cryptand Ligand
  作者：Glen E. Alliger、Peter Müller、Christopher C. Cummins、Daniel G. Nocera

  DOI：10.1021/ic100395a

  日期：2010.4.19

  cryptand featuring appended polyether moieties is used as a binucleating ligand for two CoII centers, marking the first time cryptands have been used as hexaanionic N donors for metal coordination. A synthesis for the hexacarboxamide cryptand, culminating in a 23% yield high-dilution step and proceeding in 8% overall yield, is reported. The ligand is metalated using cobalt(II) acetate, and a solid-state

  具有附加聚醚部分的六羧酰胺穴状配体被用作两个Co II中心的双核配体，这标志着穴状配体首次被用作金属配位的六阴离子N供体。报道了六甲酰胺隐链菌素的合成，最终以23％的产率高稀释步骤进行，并以8％的总产率进行。使用乙酸钴（II）对配体进行金属化处理，并呈现一种固态结构，揭示出长度超过6.4的金属间空隙。还研究了这种新型密码的反应性。在升高的温度下用氰化钾处理二甲双胍隐酸盐会导致桥接氰化物络合物。
• Light-sensitive compositions with 3-substituted coumarin compounds as
  申请人：Eastman Kodak Company

  公开号：US04147552A1

  公开（公告）日：1979-04-03

  3-Substituted coumarins are efficient sensitizers for light-sensitive unsaturated materials such as unsaturated vesiculators which release a gas upon exposure to radiation, unsaturated monomers and photocrosslinkable unsaturated polymers, and azides such as photocrosslinkable polymeric azides used in photomechanical resists and lithographic plates. Water soluble derivatives can be used for aqueous coatable or aqueous processable systems.

  3-取代香豆素是光敏不饱和材料的有效增感剂，例如不饱和泡沫剂，在辐射下释放气体，不饱和单体和光交联不饱和聚合物，以及偶氮化物，例如用于光机械抗蚀剂和印刷版的光交联聚合偶氮化物。水溶性衍生物可用于水可涂覆或水可处理系统。
• Novel Cylopenta[B]Benzofuran Derivatives and the Utilization Thereof
  申请人：Diedrichs Nicole

  公开号：US20090018113A1

  公开（公告）日：2009-01-15

  The present application relates to a novel cyclopenta[b]benzofuran derivatives, processes for their preparation and their use for the manufacture of medicaments, in particular for the prophylaxis and/or therapy of acute or chronic disorders characterized by elevated cellular stress, by local or systemic inflammatory processes or by hyperproliferation.

  本申请涉及一种新型环戊[b]苯并呋喃衍生物，其制备过程及其用于制备药物，特别是用于预防和/或治疗因细胞应激升高、局部或全身性炎症过程或过度增殖而表现出的急性或慢性疾病的方法。
• Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators
  申请人：Broo Anders

  公开号：US20090005353A1

  公开（公告）日：2009-01-01

  The present invention relates to certain novel compounds of the formula (I) to processes for preparing such compounds, to their the utility in modulation of nuclear hormone receptors Liver X Receptor (LXR) α (NR1H3) and/or β (NR1H2) and in treating and/or preventing clinical conditions including cardiovascular diseases such as atherosclerosis; inflammatory diseases, Alzheimer's disease, lipid disorders (dyslipidemias) whether or not associated with insulin resistance, type 2 diabetes and other manifestations of the metabolic syndrome, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  本发明涉及公式（I）的某些新化合物，以及制备这些化合物的方法，它们在调节核激素受体肝X受体（LXR）α（NR1H3）和/或β（NR1H2）以及治疗和/或预防包括心血管疾病如动脉粥样硬化，炎症性疾病，阿尔茨海默病，脂质紊乱（无论是否伴随胰岛素抵抗），2型糖尿病和代谢综合征的其他表现在内的临床疾病中的用途，以及它们的治疗使用方法和含有它们的制药组合物。