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116425-36-6

2-Isopropylidene-6-methyl-5-(3-oxobutyl)-4-cyclohepten-1-one is a complex chemical compound featuring a cycloheptenone ring with an isopropylidene and methyl group, as well as a 3-oxobutyl side chain. 2-Isopropylidene-6-methyl-5-(3-oxobutyl)-4-cyclohepten-1-one is known for its distinctive fruity and floral odor.

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  • 116425-36-6 Structure

  • Basic information

    1. Product Name: 2-Isopropylidene-6-methyl-5-(3-oxobutyl)-4-cyclohepten-1-one
    2. Synonyms: 2-Isopropylidene-6-methyl-5-(3-oxobutyl)-4-cyclohepten-1-one;Curcumadione;(6S)-6-Methyl-2-(1-methylethylidene)-5-(3-oxobutyl)-4-cyclohepten-1-one
    3. CAS NO:116425-36-6
    4. Molecular Formula: C15H22O2
    5. Molecular Weight: 234.33
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 116425-36-6.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 359.4±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 0.970±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-Isopropylidene-6-methyl-5-(3-oxobutyl)-4-cyclohepten-1-one(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-Isopropylidene-6-methyl-5-(3-oxobutyl)-4-cyclohepten-1-one(116425-36-6)
    11. EPA Substance Registry System: 2-Isopropylidene-6-methyl-5-(3-oxobutyl)-4-cyclohepten-1-one(116425-36-6)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 116425-36-6(Hazardous Substances Data)

116425-36-6 Usage

Uses

Used in Flavoring and Fragrance Industry:
2-Isopropylidene-6-methyl-5-(3-oxobutyl)-4-cyclohepten-1-one is used as a flavoring agent and fragrance in the food and cosmetic industries, leveraging its fruity and floral scent to enhance the sensory experience of products.
Used in Organic Synthesis:
In the field of organic chemistry, 2-Isopropylidene-6-methyl-5-(3-oxobutyl)-4-cyclohepten-1-one serves as a key intermediate in the synthesis of various organic compounds and pharmaceuticals, contributing to the development of new medicines and materials.
Used in Pharmaceutical Research:
Due to its unique chemical structure and properties, 2-Isopropylidene-6-methyl-5-(3-oxobutyl)-4-cyclohepten-1-one may have potential applications in medicine and research, where it could be explored for its possible therapeutic effects or as a component in drug discovery processes.

Check Digit Verification of cas no

The CAS Registry Mumber 116425-36-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,6,4,2 and 5 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 116425-36:
(8*1)+(7*1)+(6*6)+(5*4)+(4*2)+(3*5)+(2*3)+(1*6)=106
106 % 10 = 6
So 116425-36-6 is a valid CAS Registry Number.

116425-36-6Downstream Products

116425-36-6Relevant articles and documents

Structural diversity from the transannular cyclizations of natural germacrone and epoxy derivatives: A theoretical-experimental study

Pérez Morales, M. Carmen,Catalán, Julieta V.,Domingo, Victoriano,Jaraíz, Martín,Herrador, M. Mar,Quílez Del Moral, José F.,L?pez-Pérez, José-Luis,Barrero, Alejandro F.

supporting information, p. 6598 - 6612 (2013/06/27)

Treatment of germacrone (1) with different electrophiles, and of its epoxy derivatives germacrone-4,5-epoxide (2), germacrone-1,10-epoxide (3) and isogermacrone-4,5-epoxide (4) with Br?nsted/Lewis acids and Ti III, gives rise to a great structural diversity. Thus, by using a maximum of two steps, the production of more than 40 compounds corresponding to 14 skeletons is described. Computational calculations rationalizing the structural divergence produced are also described. Finally, since some of the compounds generated are bioactive natural sesquiterpenes, the mechanisms of formation of these substances will provide new insights in their biosynthesis. Copyright

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