4-氧代庚基-2,5-二羧酸 | 34911-62-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 中文名称: 4-氧代庚基-2,5-二羧酸
• 英文名称: 4-oxo-hepta-2,5-dienedioic acid
• 英文别名: 4-Oxo-hepta-2,5-diendisaeure；4-oxohepta-2,5-dienedioic Acid
• CAS: 34911-62-1
• 化学式: C₇H₆O₅
• 分子量: 170.122
• InChiKey: FORGRSMNOFWNBO-UHFFFAOYSA-N

物化性质

• 熔点：
  300 °C
• 沸点：
  406.9±30.0 °C(Predicted)
• 密度：
  1.445±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2918300090
• 安全说明：
  S26,S37/39

SDS

Name:	4-Oxohepta-2 5-dienedioic acid 97% Material Safety Data Sheet
Synonym:
CAS:	34911-62-1

Section 1 - Chemical Product MSDS Name:4-Oxohepta-2 5-dienedioic acid 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
34911-62-1	4-Oxohepta-2,5-dienedioic acid	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.
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 cool, dry place. Store in a tightly closed container.

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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# 34911-62-1: 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: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 300 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: C7H6O5
Molecular Weight: 170

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 34911-62-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Oxohepta-2,5-dienedioic 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# 34911-62-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 34911-62-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 34911-62-1 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

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 硫酸 作用下， 生成 4-氧代庚基-2,5-二羧酸
  参考文献：
  名称：

  Attenburrow et al., Journal of the Chemical Society, 1945, p. 571,574

  摘要：

  DOI：

文献信息

• On the Ring-Opening Reactions of the Furan Compounds. I. The Synthesis of 1,4-Pentadien-3-one-1, 5-dicarboxylic Acid from 2-Furanacrylic Acid
  作者：Hiroshi Midorikawa

  DOI：10.1246/bcsj.26.302

  日期：1953.6

  2-Furanacrylic acid gave 1,4-pentadien-3-one-1,5-dicarboxylic acid in a fairly good yield by treatment with aqueous hydrogen peroxide containing hydrochloric acid. This acid underwent the same photochemical change by direct sunlight as its methyl ester. This acid was reduced to γ-ketopimelic acid hydrazones of the acid by aluminium amalgam, and oxidised to fumaric and oxalic acids by potassium permanganate

  通过用含有盐酸的过氧化氢水溶液处理，2-呋喃丙烯酸以相当好的收率得到1,4-戊二烯-3-one-1,5-二羧酸。这种酸在阳光直射下经历了与其甲酯相同的光化学变化。该酸被铝汞齐还原为该酸的γ-酮吡咯酸腙，并被高锰酸钾氧化为富马酸和草酸。假设两个双键具有反式结构。得到酸和甲酯的苯腙。
• Straus, Chemische Berichte, 1904, vol. 37, p. 3295
  作者：Straus

  DOI：——

  日期：——
• Komppa, Annales Academiae Scientiarum Fennicae, Series A, 1938, vol. 51, # 3, p. 7,14
  作者：Komppa

  DOI：——

  日期：——
• Attenburrow et al., Journal of the Chemical Society, 1945, p. 571,574
  作者：Attenburrow et al.

  DOI：——

  日期：——