5-(1-羟基-2,6,6-三甲基-4-氧代-2-环己烯-1-基)-3-甲基-2,4-戊二烯酸 | 7773-56-0

• 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: 5-(1-羟基-2,6,6-三甲基-4-氧代-2-环己烯-1-基)-3-甲基-2,4-戊二烯酸
• 英文名称: abscisic acid
• 英文别名: abcisic acid；ABA；5-(1-Hydroxy-4-oxo-2.6.6-trimethylcyclohex-2-enyl)-3-methyl-penta-2.4-dienaic acid；(RS)-ahscisic acid；(+/-) Abscisin；5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid
• CAS: 7773-56-0
• 化学式: C₁₅H₂₀O₄
• 分子量: 264.321
• InChiKey: JLIDBLDQVAYHNE-UHFFFAOYSA-N

物化性质

• 熔点：
  149-150 °C
• 沸点：
  458.7±45.0 °C(Predicted)
• 密度：
  1.193±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 安全说明：
  S26

SDS

Name:	5-(1-Hydroxy-2 6 6-trimethyl-4-oxocyclohex Material Safety Data Sheet
Synonym:	Abscisic aci
CAS:	7773-56-0

Section 1 - Chemical Product MSDS Name:5-(1-Hydroxy-2 6 6-trimethyl-4-oxocyclohex Material Safety Data Sheet
Synonym:Abscisic aci

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
7773-56-0	5-(1-Hydroxy-2,6,6-trimethyl-4-oxocycl	97+%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Light sensitive.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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.
Ingestion:
Get medical aid. Wash mouth out with 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.)

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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# 7773-56-0: Personal Protective Equipment Eyes: Not available.
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: Solid
Color: white crystalline solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 186 - 188 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C15H20O4
Molecular Weight: 264

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, light.
Incompatibilities with Other Materials:
Strong oxidizing agents, amines, bases, reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7773-56-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex -2-enyl)-3-methylpenta-2,4-dienoic acid - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 7773-56-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7773-56-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7773-56-0 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

文献信息

• Regulation of plant metalbolism by alpha,beta- or beta,gamma-unsaturated carboxylic acids or derivatives thereof
  申请人：TEIJIN LIMITED

  公开号：EP0149034A2

  公开（公告）日：1985-07-24

  A plant metabolism regulating agent comprising as an active ingredient an alpha,beta or beta,gamma-unsaturated carboxylic acid or its derivative. It is useful for controlling the metabolism of a plant, facilitating the growth of a beneficial plant such as cereals by inhibiting the growth of undesirable plants or eradicating them, regulating the growth of a plant and dwarfing a plant.

  一种植物新陈代谢调节剂，其有效成分包括α、β或β、γ-不饱和羧酸或其衍生物。它可用于控制植物的新陈代谢，通过抑制不良植物的生长或根除不良植物来促进有益植物（如谷物）的生长，调节植物的生长和矮化植物。
• Use of abscisic acid for the prevention and treatment of malaria
  申请人：The Regents of the University of California

  公开号：US10154974B1

  公开（公告）日：2018-12-18

  The present disclosure provides methods for treating or preventing malaria by administration of abscisic acid, analogs or pharmaceutical salts thereof to a mammalian subject infected with or at risk of exposure to Plasmodium. In some aspects, the therapeutic and prophylactic regimens of the present disclosure are effective in reducing parasitemia and gametocytemia in a mammalian subject and/or reducing transmission of Plasmodium by a mosquito vector.

  本公开提供了通过向感染疟原虫或有接触疟原虫风险的哺乳动物施用赤霉酸、其类似物或药用盐来治疗或预防疟疾的方法。在某些方面，本公开的治疗和预防方案可有效降低哺乳动物体内的寄生虫血症和配子细胞血症，和/或减少疟原虫通过蚊媒的传播。
• Synthetic analogues of abscisic acid with anti-inflammatory and insulin release stimulation effects on human cells
  申请人：Universita' degli Studi di Genova

  公开号：EP2511272B1

  公开（公告）日：2015-04-15
• METHOD FOR REPRODUCING CONIFEROUS PLANTS BY SOMATIC EMBRYOGENESIS
  申请人：WEYERHAEUSER COMPANY

  公开号：EP0423260A1

  公开（公告）日：1991-04-24
• METHODS AND MATERIALS FOR REDUCING ISCHEMIA-REPERFUSION INJURY
  申请人：University of Pécs (Pécsi Tudományegyetem)

  公开号：EP3179995A1

  公开（公告）日：2017-06-21

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