叔丁基氢醌二乙酸 | 7507-48-4

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酯及其衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 叔丁基氢醌二乙酸
• 中文别名: 叔丁基氢醌二乙酯
• 英文名称: 1,4-Diacetoxy-2-t-butylbenzol
• 英文别名: 1,4-Diacetoxy-2-tert.-butyl-benzol；2-tert-butyl-1,4-phenylene diacetate；Tert-butylhydroquinone diacetate；(4-acetyloxy-3-tert-butylphenyl) acetate
• CAS: 7507-48-4
• 化学式: C₁₄H₁₈O₄
• 分子量: 250.295
• InChiKey: SJRALGDWZXRRKL-UHFFFAOYSA-N

物化性质

• 熔点：
  64.5-65.5 °C
• 沸点：
  337.1±42.0 °C(Predicted)
• 密度：
  1.081±0.06 g/cm3(Predicted)
• 保留指数：
  1695.1
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与强氧化剂接触。

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 安全说明：
  S24/25
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

Name:	tert-Butylhydroquinone diacetate Material Safety Data Sheet
Synonym:	None
CAS:	7507-48-4

Section 1 - Chemical Product MSDS Name:tert-Butylhydroquinone diacetate Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
7507-48-4	tert-Butylhydroquinone diacetate	100.0	231-364-0

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
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. The toxicological properties of this substance have not been fully investigated.
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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:
Antidote: None reported.

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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 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. Avoid generating dusty conditions. 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. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 7507-48-4: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 64.50 - 65.50 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C14H18O4
Molecular Weight: 250.29

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7507-48-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
tert-Butylhydroquinone diacetate - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
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# 7507-48-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7507-48-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7507-48-4 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

• 作为反应物：
  描述：

  叔丁基氢醌二乙酸 生成 特丁基对苯二酚
  参考文献：
  名称：

  Parmar V. S., Khanduri C. H., Tyagi O. D., Prasad A. K., Gupta Suman, Bis+, Indian J. Chem. B, 31 (1992) N 12, S 925-929

  摘要：

  DOI：

文献信息

• Utilization of the inherent nucleophile for regioselective O-acylation of polyphenols via an intermolecular cooperative transesterification
  作者：Jingchao Liu、Junjie Fu、Wenlong Li、Yu Zou、Zhangjian Huang、Jinyi Xu、Sixun Peng、Yihua Zhang

  DOI：10.1016/j.tet.2016.05.048

  日期：2016.7

  A green and efficient method for regioselective O-acylation of polyphenols has been developed. The acylation can be carried out in potassium carbonate/dimethyl sulphoxide system by utilizing the ‘inherent nucleophile’ via an intermolecular cooperative transesterification under mild condition. This method shows particular advantage in regioselective acylation of polyphenols bearing 2′,4′-dihydroxyacetophenone

  已经开发了一种绿色有效的多酚区域选择性O-酰化方法。可以在温和条件下通过分子间合作酯交换利用“固有亲核试剂”，在碳酸钾/二甲亚砜体系中进行酰化反应。该方法在带有2'，4'-二羟基苯乙酮部分的多酚的区域选择性酰化中显示出特别的优势，并且可以扩展为不具有该部分的多酚的单乙酸酯或多种乙酸酯的合成。与其他已报道的方法相比，该方法具有原子经济性，并且在避免使用任何金属基催化剂方面更加环保。
• Parmar V. S., Khanduri C. H., Tyagi O. D., Prasad A. K., Gupta Suman, Bis+, Indian J. Chem. B, 31 (1992) N 12, S 925-929
  作者：Parmar V. S., Khanduri C. H., Tyagi O. D., Prasad A. K., Gupta Suman, Bis+

  DOI：——

  日期：——
• MELT-PROCESSABLE LIQUID CRYSTALLINE POLYESTER, PROCESS FOR THE PREPARATION THEREOF AND PRODUCTS PREPARED FROM THE POLYESTER
  申请人：NESTE OY

  公开号：EP0640108A1

  公开（公告）日：1995-03-01
• LIQUID CRYSTALLINE COPOLY(ESTER-IMIDE)S AND A PROCESS FOR THE PREPARATION THEREOF
  申请人：OPTATECH CORPORATION

  公开号：EP0771337A1

  公开（公告）日：1997-05-07
• ADDITIVES USABLE IN PREPARATION OF ALKENYL SUCCINIC ANHYDRIDE
  申请人：KEMIRA CHEMICALS OY

  公开号：EP0883614B1

  公开（公告）日：2001-10-24

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