6-(1-Acetoxy-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one, also known as cyclohexanebutyric acid lactone, is a complex chemical compound that belongs to the class of cyclic esters. It is characterized by its fruity, peach-like odor and taste, making it a valuable ingredient in the food and chemical industries.
580-49-4
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Basic information
- Product Name: 6-(1-Acetoxy-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one
- Synonyms: 6-(1-Acetoxy-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one;Xanthinin
- CAS NO:580-49-4
- Molecular Formula: C17H22O5
- Molecular Weight: 306.3536
- EINECS: N/A
- Product Categories: N/A
- Mol File: 580-49-4.mol
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Chemical Properties
- Melting Point: 121-122 °C
- Boiling Point: 476.3°Cat760mmHg
- Flash Point: 210.6°C
- Appearance: /
- Density: 1.15g/cm3
- Vapor Pressure: 3.08E-09mmHg at 25°C
- Refractive Index: 1.512
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 6-(1-Acetoxy-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one(CAS DataBase Reference)
- NIST Chemistry Reference: 6-(1-Acetoxy-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one(580-49-4)
- EPA Substance Registry System: 6-(1-Acetoxy-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one(580-49-4)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 580-49-4(Hazardous Substances Data)
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580-49-4 Usage
Uses
Used in Flavor and Fragrance Industry:6-(1-Acetoxy-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one is used as a flavoring agent for its distinctive peach-like aroma and taste. It is commonly employed in the production of artificial flavors and fragrances to enhance the sensory experience of various food products and cosmetic items.
Used in Pharmaceutical Synthesis:
In the pharmaceutical industry, 6-(1-Acetoxy-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one serves as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical structure allows for the development of new drugs with potential therapeutic applications.
Used as a Food Additive:
6-(1-Acetoxy-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one is considered safe for consumption in small amounts as a food additive. It is used to impart a peach-like flavor to various food products, enhancing their taste and appeal to consumers.
However, it is important to note that excessive consumption or inhalation of 6-(1-Acetoxy-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one can be harmful and may cause irritation to the respiratory tract. Therefore, it is crucial to adhere to recommended guidelines and regulations regarding its use in different applications.
Check Digit Verification of cas no
The CAS Registry Mumber 580-49-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,8 and 0 respectively; the second part has 2 digits, 4 and 9 respectively.Calculate Digit Verification of CAS Registry Number 580-49:
(5*5)+(4*8)+(3*0)+(2*4)+(1*9)=74
74 % 10 = 4
So 580-49-4 is a valid CAS Registry Number.
InChI:InChI=1/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3
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6-(1-Acetoxy-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one
