sodium salt of ethyl-4-hydroxybenzoate | 35285-68-8

• 物质功能分类: 有机原料 - 有机金属盐
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: sodium salt of ethyl-4-hydroxybenzoate
• 英文别名: sodium 4-carboethoxyphenolate；sodium salt of p-hydroxy ethylbenzoate；ethyl 4-hydroxybenzoate sodium salt；sodium ethylparaben；4-Hydroxy-benzoesaeure-aethylester; Natrium-Salz；4-hydroxy-benzoic acid ethyl ester; sodium-salt；sodium 4-ethoxycarbonylphenoxide；sodium ethyl p-hydroxybenzoate；sodium;4-ethoxycarbonylphenolate
• CAS: 35285-68-8
• 化学式: C₉H₉O₃*Na
• 分子量: 188.158
• InChiKey: QYNMSPKSYXPZHG-UHFFFAOYSA-M

物化性质

• 熔点：
  >115°C(free ester)
• 密度：
  1.34[at 20℃]
• 闪点：
  121°C
• 溶解度：
  白色或类白色、吸湿性结晶性粉末。
• 沸点：
  297°C (1013 hPa)(free ester),(decomposition)
• LogP：
  -0.14 at 23℃
• 物理描述：
  White, crystalline hygroscopic powder

计算性质

• 辛醇/水分配系数(LogP)：
  -2.06
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  49.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• WGK Germany：
  1
• 海关编码：
  2909500000
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H319
• 储存条件：
  室温且干燥环境下使用。

SDS

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Section 1. Chemical Product and Company Identification
Ethylparaben Sodium
Common Name/
Trade Name
Ethylparaben Sodium

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Section 4. First Aid Measures
Eye Contact Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water
for at least 15 minutes. Get medical attention if irritation occurs.
Skin Contact Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation
develops.
Serious Skin Contact Not available.
Inhalation If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Get medical attention.
Serious Inhalation Not available.
Ingestion Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to
an unconscious person. Loosen tight clothing such as a collar, tie, belt or waistband. Get medical attention
if symptoms appear.
Serious Ingestion Not available.

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Section 5. Fire and Explosion Data
Flammability of the Product May be combustible at high temperature.
Auto-Ignition Temperature Not available.
Not available.
Flash Points
Flammable Limits Not available.
Products of Combustion These products are carbon oxides (CO, CO2).
Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
Various Substances
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards in
Risks of explosion of the product in presence of static discharge: Not available.
Presence of Various
Substances
SMALL FIRE: Use DRY chemical powder.
Fire Fighting Media
LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
and Instructions
Special Remarks on As with most organic solids, fire is possible at elevated temperatures
Fire Hazards
Special Remarks on Explosion Not available.
Hazards

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Section 6. Accidental Release Measures
Small Spill Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by
spreading water on the contaminated surface and dispose of according to local and regional authority
requirements.
Large Spill Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading
water on the contaminated surface and allow to evacuate through the sanitary system.

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Section 7. Handling and Storage
Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do
Precautions
not ingest. Do not breathe dust. If ingested, seek medical advice immediately and show the container or
the label. Keep away from incompatibles such as oxidizing agents, reducing agents.
Storage Keep container tightly closed. Keep container in a cool, well-ventilated area.
Ethylparaben Sodium

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Section 8. Exposure Controls/Personal Protection
Engineering Controls Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels
below recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep
exposure to airborne contaminants below the exposure limit.
Personal Protection Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent.
Gloves.
Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be
a Large Spill used to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a
specialist BEFORE handling this product.
Exposure Limits Not available.

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Section 9. Physical and Chemical Properties
Physical state and appearance Solid. (Crystals solid.) Odor Not available.
Taste Not available.
Molecular Weight 188.17 g/mole
Off-white.
Color
Not available.
pH (1% soln/water)
Boiling Point Not available.
Not available.
Melting Point
Critical Temperature Not available.
Not available.
Specific Gravity
Vapor Pressure Not applicable.
Vapor Density Not available.
Not available.
Volatility
Odor Threshold Not available.
Not available.
Water/Oil Dist. Coeff.
Ionicity (in Water) Not available.
Dispersion Properties Not available.
Solubility Not available.

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Section 10. Stability and Reactivity Data
Stability The product is stable.
Not available.
Instability Temperature
Conditions of Instability Excess heat, incompatible materials
Incompatibility with various Reactive with oxidizing agents, reducing agents.
substances
Corrosivity Not available.
Special Remarks on Not available.
Reactivity
Special Remarks on Not available.
Corrosivity
Polymerization Will not occur.
Ethylparaben Sodium

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Section 11. Toxicological Information
Routes of Entry Inhalation. Ingestion.
Toxicity to Animals Acute oral toxicity (LD50): 2500 mg/kg [Mouse].
Chronic Effects on Humans Not available.
Other Toxic Effects on Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.
Humans
Special Remarks on Not available.
Toxicity to Animals
Special Remarks on Not available.
Chronic Effects on Humans
Special Remarks on other Acute Potential Health Effects:
Toxic Effects on Humans Skin: May cause skin irritation.
Eyes: May cause eye irritation.
Inhalation: Dust may cause respiratory tract irritation.
Ingestion: Expected to be a low hazard. May affect behavior/central nervous system/nervous system
(ataxia, somnolence, flaccid paralysis)

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Section 12. Ecological Information
Not available.
Ecotoxicity
BOD5 and COD Not available.
Products of Biodegradation Possibly hazardous short term degradation products are not likely. However, long term degradation
products may arise.
Toxicity of the Products The product itself and its products of degradation are not toxic.
of Biodegradation
Special Remarks on the Not available.
Products of Biodegradation

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Section 13. Disposal Considerations
Waste Disposal Waste must be disposed of in accordance with federal, state and local environmental
control regulations.

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Section 14. Transport Information
DOT Classification Not a DOT controlled material (United States).
Identification Not applicable.
Special Provisions for Not applicable.
Transport
DOT (Pictograms)
Ethylparaben Sodium

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Section 15. Other Regulatory Information and Pictograms
No products were found.
Federal and State
Regulations
California California prop. 65: This product contains the following ingredients for which the State of California has
Proposition 65 found to cause cancer which would require a warning under the statute: No products were found.
Warnings
California prop. 65: This product contains the following ingredients for which the State of California has
found to cause birth defects which would require a warning under the statute: No products were found.
Other Regulations EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances (EINECS
No. 252-487-6).
Canada: Listed on Canadian Domestic Substance List (DSL).
China: Listed on National Inventory.
Japan: Listed on National Inventory (ENCS).
Korea: Not listed on National Inventory (KECI).
Philippines: Listed on National Inventory (PICCS).
Australia: Listed on AICS.
Other Classifications WHMIS (Canada) Not controlled under WHMIS (Canada).
DSCL (EEC) This product is not classified Not applicable.
according to the EU regulations.
Health Hazard
HMIS (U.S.A.) 1 National Fire Protection
1 Flammability
1 Association (U.S.A.)
Fire Hazard
1 0 Reactivity
Health
Reactivity
0
Specific hazard
Personal Protection
E
WHMIS (Canada)
(Pictograms)
DSCL (Europe)
(Pictograms)
TDG (Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Gloves.
Lab coat.
Dust respirator. Be sure to use an
approved/certified respirator or
equivalent.
Ethylparaben Sodium

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途

本品为一种水溶性防腐剂，具有安全、高效、广谱抗菌的主要特点。它广泛应用于多个领域：

• 医药工业：用于中草药和中成药的配制以及医疗器械消毒。
• 食品工业：适用于乳制品、腌制品、饮料、果汁、果冻、糕点等食品的防腐处理。
• 纺织工业：用于纺织品、棉纱及化纤的防霉处理。
• 其他领域：包括化妆品、饲料和日用工业品的防腐。

本产品采用20公斤纸板桶，内含复合铝膜袋包装。

反应信息

• 作为反应物：
  描述：

  sodium salt of ethyl-4-hydroxybenzoate 在 tetrakis(acetonitrile)copper(I)tetrafluoroborate 氧气 、 N,N-bis[2-(N-methylbenzimidazol-2-yl)ethyl]benzylamine 作用下， 以 乙腈 为溶剂， 反应 0.58h， 以84%的产率得到ethyl 2-(4-carbethoxyphenoxy)-3,4-dihydrobenzoate
  参考文献：
  名称：

  Novel tert-Butyl Migration in Copper-Mediated Phenol Ortho-Oxygenation Implicates a Mechanism Involving Conversion of a 6-Hydroperoxy-2,4-cyclohexadienone Directly to an o-Quinone

  摘要：

  Copper mediated ortho-oxygenation of phenolates may proceed through the generation of a 6-peroxy-2,4-cyclohexadienone intermediate. To test this theory, we studied the fate of sodium 4-carbethoxy2,6-di-tert-butylphenolate, where the ortho-oxygenation sites are blocked by tert-butyl groups. Using the Cu(I) complex of N,N-bis(2-(N-methylbenzimidazol-2-yl)ethyl)benzylamine, isolation of the major oxygenated product and characterization by single-crystal X-ray crystallography and NMR spectroscopy revealed it to be 4-carbethoxy-3,6-di-tert-butyl-1,2-benzoquinone, resulting from a 1,2-migration of a tert-butyl group. The independently prepared B-hydroperoxide is transformed by the Cu(I)- (or Cu(II)-) ligand complex to the same o-quinone. The observed 1,2-migration of the tert-butyl group appears to reflect an electron demand created by rearrangement of the postulated peroxy intermediate. A mechanism proceeding alternatively through a catechol and subsequent oxidation to the o-quinone seems ruled out by a control study demonstrating that the requisite intermediate to catechol formation would instead eliminate the 2-tert-butyl group.

  DOI：

  10.1021/jo991625m
• 作为产物：
  描述：

  过氧化氢酶 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 sodium salt of ethyl-4-hydroxybenzoate
  参考文献：
  名称：

  Process for the preparation of alkali metal salts of hydroxybenzoates,

  摘要：

  本发明涉及疏水基苯羟酸的碱金属盐，其基本无水且不含羟基苯甲酸，其化学式为##STR1## 其中R1表示烷基、烯基、环烷基或芳基烷基，R2和R3相同或不同，表示氢、卤素、羟基、氨基、烷基氨基、烷基、烷氧基、芳基烷基或芳基，Me表示碱金属。此外，本发明还涉及一种制备基本无水且不含羟基苯甲酸的碱金属盐的方法，其特征在于，在-10℃至+50℃的条件下，用碱金属氢氧化物中和式##STR2## 其中R1、R2和R3具有上述含义，直至中和度为0.95至1.05的溶液或悬浮液，中和度为1.00表示碱金属氢氧化物中和酚羟基的终点。将所得的碱金属盐的溶液或悬浮液经过适量的干燥操作，该操作不会损坏产品且已知。在此之后的一段时间内，使得该溶液或悬浮液中的羟基苯甲酸或其碱金属盐的含量不超过1重量％，相对于该溶液或悬浮液中所含的羟基苯甲酸盐的量。

  公开号：

  US04276431A1

文献信息

• [EN] GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING GLUCOCORTICOID RECEPTOR ACTIVITY<br/>[FR] PEPTIDES DE LA SUPERFAMILLE DU GLUCAGON PRÉSENTANT UNE ACTION SUR LES RÉCEPTEURS AUX GLUCOCORTICOÏDES
  申请人：UNIV INDIANA RES & TECH CORP

  公开号：WO2013074910A1

  公开（公告）日：2013-05-23

  Provided herein are glucagon superfamily peptides conjugated with GR ligands that are capable of acting at a glucocorticoid receptor. Also provided herein are pharmaceutical compositions and kits of the conjugates of the invention. Further provided herein are methods of treating a disease, e.g., a metabolic disorder, such as diabetes and obesity, comprising administering the conjugates of the invention.

  本文提供了与GR配体结合的葡萄糖素超家族肽，这些肽能够作用于糖皮质激素受体。本文还提供了该发明的结合物的药物组合物和工具包。此外，本文还提供了治疗疾病的方法，例如代谢紊乱，如糖尿病和肥胖，包括给予该发明的结合物。
• Kinetics and Mechanism of Alkaline Hydrolysis of Y-Substituted Phenyl Phenyl Carbonates
  作者：Song-I Kim、So-Jeong Hwang、Eun-Mi Jung、Ik-Hwan Um

  DOI：10.5012/bkcs.2010.31.7.2015

  日期：2010.7.20

  Summary of second-order rate constants for reactions of Y-substituted phenyl benzoates ( 1a-j ) and Y-substituted phenyl phe-nyl carbonates ( 2a-j ) with OH – in 80 mol % H 2 O/20 mol % DMSO at 25.0 ± 0.1 o C a entry Y p K aY‐PhOH k OH‒ /M ‒1 s ‒1 12a 3,4-(NO 2 ) 2 5.42 98.9 794 b 4-NO 2 7.14 13.4 140 c 4-CHO 7.66 4.72 50.8 d 4-COMe 8.05 3.27 34.7 e 3-NO 2 8.35 5.97 - f 4-COOEt 8.503.1135.1 g 3-CHO

  已通过光谱法测量了Y取代的苯基苯甲酸酯（2a-j）碱性水解的二级速率常数< T പി >$(k_OH^-})$，并与先前报告的Y取代的苯基苯甲酸酯（1a-j）相应反应的< T പി >$k_OH^-}$数值进行了比较。碳酸酯2a-j的反应性比苯酸酯1a-j高出8~16倍。Hammett图与< T Π >$\sigma^-$和< T Π >$\sigma^o$常数相关，但显示出许多散点，而Yukawa-Tsuno图则表现出良好的线性相关性，< T Π >$\rho$ = 1.21，< T Π >$\gamma$ = 0.33。因此，可以得出结论，该反应是通过一个协同机制进行的，其中脱离基团的排除仅稍微提前。然而，不能排除当前反应通过一个强迫协同机制及一个高度不稳定的中间体进行的可能性。
• Enantioselective Adsorption of Chiral Amines on an Induced Helical Poly(bis(4-carboxyphenoxy)phosphazene): Chiral Filter Effect
  作者：Katsuhiro Maeda、Kenji Kuroyanagi、Shin-ichiro Sakurai、Toshio Yamanaka、Eiji Yashima

  DOI：10.1021/ma200411g

  日期：2011.4.26

  Optically inactive poly((bis(4-carboxyphenoxy)phosphazene) (poly-1) showed a large optical rotation upon complexation with optically active (R)- or (S)-1-phenylethylamine (2) in DMSO after annealing the complex solution at 65 °C for ca. 2 h and maintained its optical activity in the presence of an equimolar amount of the opposite-handed 2. The detailed analysis of the enantiomeric excess of 2 adsorbed

  光学惰性的聚（（双（4-羧基苯氧基）磷腈）（poly- 1）与复合溶液退火后，在DMSO中与旋光性（R）-或（S）-1-苯基乙胺（2）络合时显示出较大的旋光度在65°C下约2 h，并在等摩尔量的反义2的存在下保持其光学活性。对多聚体1吸附的对映体过量2的详细分析表明，螺旋多聚体1由（R）-或（S）-2诱导的最有可能充当“手性过滤器””从外消旋物2中排除一种对映异构体，导致其诱导的螺旋结构得以保留。
• Powder and water-based adhesive composition
  申请人：National Starch and Chemical Investment Holding Corporation

  公开号：EP1897926A1

  公开（公告）日：2008-03-12

  The invention relates to an adhesive composition which is in one embodiment a free flowing, water-redispersible powder adhesive, comprising about 30 to 99.9 wt.-% of at least one water-insoluble, film-forming polymer and/ or at least one water-soluble polymer in powder form, about 0.1 to 35 wt.-% of at least one polyalkylene polyamine with a molecular weight of between about 300 and 10'000'000, and up to about 35 wt.-% of at least one water-soluble salt. In another embodiment, the adhesive composition is a water-based adhesive composition, comprising, based on the solids content of the adhesive about 30 to 99.4 wt.-%, of at least one aqueous dispersion of a water-insoluble, film-forming polymer and at least one water-soluble polymer, wherein the weight ratio of the water-insoluble to the water-soluble polymer is from about 0.001 : 1 to 100 : 1, about 0.1 to 35 wt.-%, of at least one polyalkylene polyamine with a molecular weight of between about 300 and 10'000'000, and about 0.5 to 35 wt.-% of at least one water-soluble salt, whereas the solids content of the water-based adhesive composition is between about 5 and 70 wt.-%. The processes to manufacture the same and the uses are described as well. The inventive adhesive composition is cost effective and provides excellent adhesion, in particular to difficult to bond substrates.

  本发明涉及一种粘合剂组合物，在一个实施方案中，该组合物是一种自由流动的水可再分散粉末粘合剂，包含约 30 至 99.9 wt.-% 的至少一种水不溶性成膜聚合物和/或至少一种粉末状水溶性聚合物，约 0.1 至 35 wt.-% 的至少一种分子量在约 300 至 10'000'000 之间的聚烯烃多胺，以及最多约 35 wt.-% 的至少一种水溶性盐。在另一个实施方案中，粘合剂组合物是一种水基粘合剂组合物，基于粘合剂固体含量约 30 至 99.4 wt.-%，包含至少一种水不溶性成膜聚合物的水分散体和至少一种水溶性聚合物，其中水不溶性聚合物与水溶性聚合物的重量比约为 0.001 : 1 至 100 : 1，约 0.1 至 35 wt.-% 的至少一种聚烯烃多胺，其分子量在约 300 至 10'000'000 之间。%的至少一种分子量在约 300 至 10'000'000 之间的聚烯烃多胺，以及约 0.5 至 35 wt.-% 的至少一种水溶性盐，而水基粘合剂组合物的固体含量在约 5 至 70 wt.-% 之间。此外，还介绍了制造工艺和用途。本发明的粘合剂组合物成本低廉，粘合效果极佳，尤其适用于难以粘合的基材。
• Glucagon/glp-1 receptor co-agonists
  申请人：Indiana University Research and Technology Corporation

  公开号：EP2676673A2

  公开（公告）日：2013-12-25

  Modified glucagon peptides are disclosed having enhanced potency at the glucagon receptor relative to native glucagon. Further modification of the glucagon peptides by forming intramolecular bridges or the substitution of the terminal carboxylic acid with an amide group produces peptides exhibiting glucagon/GLP-1 receptor co-agonist activity. The solubility and stability of these high potency glucagon analogs can be further improved by modification of the polypeptides by pegylation, acylation, alkylation, substitution of carboxy terminal amino acids, C-terminal truncation, or the addition of a carboxy terminal peptide selected from the group consisting of SEQ ID NO: 26 (GPSSGAPPPS), SEQ ID NO: 27 (KRNRNNIA) and SEQ ID NO: 28 (KRNR).

  已公开的修饰胰高血糖素肽在胰高血糖素受体上的效力比原生胰高血糖素更强。通过形成分子内桥或用酰胺基团取代末端羧酸来进一步修饰胰高血糖素肽，可产生具有胰高血糖素/GLP-1 受体共激动剂活性的肽。这些高活性胰高血糖素类似物的溶解性和稳定性可通过对多肽进行聚乙二醇化、酰化、烷基化、羧基末端氨基酸的取代、C-末端截断或添加选自 SEQ ID NO: 26 (GPSSGAPPPS)、SEQ ID NO: 27 (KRNRNNIA) 和 SEQ ID NO: 28 (KRNR)的羧基末端肽来进一步改善。