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Dibutyl Squarate (SADBE) is a transparent slightly yellow liquid, and its purity may slightly affect the color depth. This color is more common in chemical reagents and often represents that the substance has relatively stable chemical properties. Insoluble in water, sealed in a cool and dry environment. At room temperature, it is not easily volatile and not flammable. This property provides high security during storage and transportation. Excellent quality has become the biggest highlight of our products, with markets covering the United States, Australia, Brazil, Japan, Germany, and more. Dibutyl formate can participate in drug reactions as an intermediate in active pharmaceutical ingredients, as well as in chemical reactions to generate new organic materials. In some chemical experiments, dibutyl oxalate participates in the reaction in solution form.
We provide reference prices for samples of three specifications:
5g, Unit price: 36usd/g, Total price: 180usd,
10g, Unit price: 22.5usd/g, Total price: 225usd
25g, Unit price: 11.92usd/g, Total price: 298usd
Squaric acid is a symmetrical planar biproton quaternary carbon oxygen compound with unique 2 π quasi aromaticity. Due to its resonance stable aromatic square divalent anion structure, squaric acid has high double acidity (pKa1 = 0.54, pka2 = 3.58)
Square amide is the most widely used derivative of square acid. Its molecular structure can form a variety of interactions with biological targets through specific molecular recognition. Secondary square amide can act as hydrogen bond donor and receptor or hydrogen bond donor receptor at the same time. Therefore, it can form four hydrogen bonds with biological targets. The ability of secondary square amide to form hydrogen bonds is also one of the reasons for its high melting point (275-300 ℃) and low water solubility.
Dibutyl Squarate is an organic compound with a wide range of applications.
Dibutyl oxalate or 3,4-di-n-butyloxy-3-cyclobutene-1,2-dione, is an organic compound with a wide range of applications. It plays an important role in organic synthesis and is often used as an intermediate in the synthesis of various complex organic compounds. Due to its unique molecular structure and chemical properties, dibutyl oxalate can participate in various organic reactions, such as the synthesis of carbonyl compounds and carbonyl reduction reactions. These reactions have a wide range of applications in industries such as medicine, pesticides, and dyes, therefore the demand for dibutyl oxalate is particularly prominent in these industries.
In the field of medicine
It can be used to synthesize various drug molecules with specific biological activities. For example, some antiviral drugs, anti-tumor drugs, and antibacterial drugs all contain structural units of dibutyl oxalate or its derivatives. By precisely controlling reaction conditions and steps, scientists can synthesize drug molecules with high efficiency, low toxicity, and high selectivity, making contributions to human health.
In the field of pesticides
It also has a wide range of applications. It can be used to synthesize various pesticide molecules with functions such as insecticidal, bactericidal, and weeding. These pesticide molecules can effectively control the occurrence of crop diseases and pests, improve crop yield and quality. Meanwhile, due to its low toxicity and good environmental compatibility, dibutyl oxalate can reduce its harm to the environment and human body during use.
In the field of dyes
It can be used as one of the intermediates for synthesizing dyes. By reacting with other compounds, dye molecules with bright colors, high fastness, and good environmental performance can be synthesized. These dyes have a wide range of applications in industries such as textiles, printing and dyeing, and leather, bringing rich and colorful colors to people's lives.
Photosensitive dye raw materials
Photosensitive dye raw materials can also be used as one of the raw materials for photosensitive dyes. Photosensitive dyes are dye molecules that can undergo chemical reactions under light conditions and are widely used in fields such as optoelectronic devices, optical sensors, anti-counterfeiting printing, etc. It can be converted into photosensitive dye molecules through specific chemical reactions, providing high-quality raw material support for these fields.
Dibutyl Squarate, with the chemical formula C12H18O4, is an organic compound with unique aroma characteristics and is often used as a fragrance enhancer.
1. Candy and chocolate
It is often used as a flavoring agent in candy and chocolate products. It can enhance the sweet aroma of candy and chocolate, making the taste more delicate and rich. Especially in some high-end chocolate products, adding can significantly enhance the aroma quality and dining experience of the product.
Example: A well-known chocolate brand has added trace amounts of products to its high-end dark chocolate products to enhance their fruity and floral aromas, making the chocolate taste more mellow and silky.
2. Baking food
Baked foods such as bread, cakes, etc. often require the addition of certain spices during the processing to enhance their flavor. As a fragrance enhancer, it can impart unique aroma characteristics to baked goods, enhancing their taste and appeal.
Example: When a bakery is making its signature French bread, a small amount is added to the dough to enhance the baking aroma and overall flavor of the bread. This allows bread to quickly attract customers' attention and increase sales after being baked.
3. Beverages
In the beverage industry, it is also widely used as a fragrance enhancer. It can enhance the fruity and floral aroma of beverages, making the taste fresher and more refreshing. Especially in some fruit juice and tea drinks, adding can significantly enhance the aroma quality and drinking experience of the product.
Example: A certain fruit juice beverage brand added a trace amount of lemon flavor to enhance the aroma and taste of lemon. This enables beverages to quickly stimulate consumers' taste buds and bring a pleasant drinking experience.
4. Seasoning
Seasoning such as soy sauce, vinegar, etc. often require the addition of certain spices during the cooking process to enhance the flavor. As a fragrance enhancer, it can endow seasonings with unique aroma characteristics, enhance the taste and attractiveness of food.
Example: A well-known seasoning brand added trace amounts to its soy sauce products to enhance the aroma and freshness of the soy sauce. This allows soy sauce to better blend into the ingredients during the cooking process, enhancing the overall flavor of the dish.
5. Fragrance enhancement applications in the tobacco industry
In the tobacco industry, it is also widely used as a fragrance enhancer. It can enhance the aroma and taste of tobacco, allowing smokers to enjoy a more pleasant and comfortable smoking experience.
Example: A tobacco brand has added trace amounts to its high-end cigarette products to enhance the fruity and floral aroma of tobacco. This allows cigarettes to quickly emit a unique aroma after ignition, enhancing the sensory experience of smokers. At the same time, adding it can also reduce the irritability of tobacco, making the smoking process smoother and more gentle.
6. Fragrance enhancement applications in the cosmetics industry
In the cosmetics industry, it can also be used as a fragrance enhancer. It can endow cosmetics with unique aroma characteristics, enhance product attractiveness and market competitiveness. Especially in some high-end cosmetics, adding can significantly enhance the aroma quality and user experience of the product.
Example: A well-known cosmetics brand added trace amount to its perfume products to enhance the fruity and floral fragrance of perfume. This makes perfume quickly emit charming fragrance after spraying, attracting consumers' attention. At the same time, adding it can also improve the durability and stability of perfume, so that consumers can keep fresh fragrance for a long time.
7. Fragrance enhancement applications in other fields
In addition to the food, tobacco, and cosmetics industries, it can also be used as a fragrance enhancer in other fields. For example, in the essence and fragrance industry, it can be used as one of the important raw materials for preparing various essence; In the daily chemical industry, it can also be used to enhance the aroma and attractiveness of products such as shampoo and shower gel.
Example: A essence and flavor company selected it as one of the main raw materials when preparing its fruit flavor essence. Through careful blending with other spice ingredients, the company has successfully developed a essence product with unique fruity flavor, which is widely used in food, beverage, cosmetics and other fields.
Chemical Formula: C12H18O4, Exact Mass: 226, Molecular Weight: 226, m/z: 226 (100.0%), 227 (13.0%), Elemental Analysis: C, 63.70; H, 8.02; O, 28.28 Boiling point 139 ° C 0.5 mm Hg ( lit. ) , Density : 1.047 g / mL at 25 °C ( lit. ) , Refractive index n20 / D 1.494 ( lit. ) , flash point > 230°F , Storage conditions Sealed in dry, Room Temperature , Morphological Liquid , Color Clear colorless to yellow , Water solubility INSOLUBLE , BRN 1968189 , InChIKeyXBRWELTXMQSEIN-UHFFFAOYSA-N , Warning , Hazardous Mark Xn , Hazard category code 36 / 37 / 38-42 / 43 , Safety instructions 26-27-36 / 37 / 39-45 , WGK Germany 3 , RTECS GU1772066
Dibutyl Squarate can be obtained through the following laboratory synthesis methods.
Synthesis steps:
-Prepare appropriate safety equipment in the laboratory, such as gloves, goggles, and laboratory covers.
-Ensure good ventilation in the operating area.
-Prepare a dry Round-bottom flask and connect the condenser tube.
-Add dibutyl malonate to the flask as the raw material.
a. Add Bromoacetic acid catalyst:
-Dissolve an appropriate amount of Bromoacetic acid in a small amount of absolute ethanol, and slowly drop it into the dibutyl dicarbonate in the flask.
-Add excessive Bromoacetic acid to ensure the reaction.
b. Heating reaction mixture:
-Place the flask on a heater and heat it to reaction temperature, typically between 100 and 110 degrees Celsius.
-Stir the reaction mixture while heating.
c. Reaction time:
-It usually takes several hours to allow the mixture to react at reaction temperature for a period of time.
d. Cooling and crystallization:
-Turn off the heater and allow the reaction mixture to naturally cool to room temperature.
-The formation of crystals can be observed. Further freezing or adding appropriate solvents can induce crystal crystallization.
e. Separation and drying:
-Use filter paper or suction filter to separate the solids.
-Wash and filter the separated solid crystals, and then place them in a ventilation tank to dry.
-Products can be identified using techniques such as infrared spectroscopy (IR), nuclear magnetic resonance (NMR), and mass spectrometry.
-If higher purity products are needed, further crystallization, washing, and drying can be carried out.
Chemical reaction formula:
C10H18O5+C2H3BrO2 → C12H18O4+CO2
(CH3(CH2)3CO2)2CHCH2CO2(CH2)3CH3+CH2BrCOOH → (CH3(CH2)3CO2)2C=C (CO2(CH2)3CH3)2+CO2
Frequently Asked Questions
1. What is the chemical structure and molecular formula of Dibutyl Squarate?
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Dibutyl Squarate (CAS: 2892-62-8) is an organic compound derived from squaric acid. Its molecular formula is C₁₂H₁₈O₄, featuring a central cyclobutane-1,2,3,4-tetrone (squaric acid) core esterified with two n-butyl groups. The structure consists of a strained four-membered ring with two ester linkages (–COO–) connecting the core to n-butyl chains (–C₄H₉). This configuration imparts both stability and reactivity, making it useful in synthetic chemistry.
2. What are the primary applications of Dibutyl Squarate in industry and research?
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Dibutyl Squarate serves as a versatile chemical intermediate in multiple fields:
Pharmaceuticals: Used to synthesize heterocyclic compounds and bioactive molecules, such as antiviral or anticancer agents.
Materials Science: Incorporated into functional polymers, photochromic materials, and specialty coatings due to its strained ring reactivity.
Organic Synthesis: Acts as a reactive diluent or building block in the preparation of complex organic molecules, leveraging its ester groups for further transformations.
3. How is Dibutyl Squarate synthesized, and what are the key reaction conditions?
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The synthesis typically involves esterification of squaric acid with n-butanol under controlled conditions:
Reagents: Squaric acid dichloride (or squaric acid) reacts with excess n-butanol.
Catalyst: A base like pyridine or triethylamine neutralizes HCl byproduct.
Conditions: Mild heating (50–80°C) under anhydrous conditions to prevent hydrolysis.
Yield: Purification via distillation or chromatography yields a pale-yellow liquid with >95% purity.
4. What safety precautions should be taken when handling Dibutyl Squarate?
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Dibutyl Squarate is classified as moderately hazardous (GHS07 warning symbol) due to its irritant properties:
Exposure Risks: May cause eye/skin irritation, mild respiratory discomfort, or allergic reactions (e.g., dermatitis) upon prolonged contact.
Storage: Keep in tightly sealed containers under cool, dry, and well-ventilated conditions, away from strong acids, bases, and oxidizers.
Personal Protective Equipment (PPE): Use gloves (nitrile or neoprene), goggles, and respiratory protection (e.g., N95 mask) when handling.
Emergency Measures: In case of contact, rinse affected areas with water for 15 minutes and seek medical attention if irritation persists.
5. Is Dibutyl Squarate carcinogenic, and what regulatory classifications exist?
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Current evidence does not support carcinogenicity, but long-term health effects remain understudied:
Regulatory Status: Neither the International Agency for Research on Cancer (IARC) nor the U.S. EPA has classified it as a carcinogen.
Hazard Codes: Classified as Xn (Harmful) under EU regulations, with risk phrases R36/37/38 (irritant to eyes, skin, and respiratory tract) and R42/43 (may cause sensitization by inhalation/contact).
Transport: Non-hazardous for transport (NONH), but proper labeling and handling are required due to irritant risks.
For further details, refer to material safety data sheets (MSDS) or regulatory databases like ChemicalBook or GuideChem.
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