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(1R,4E,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one is a bicyclic chemical compound with a molecular formula C15H22O. It features a unique structure, characterized by a bicyclo[7.2.0]undec-4-en-3-one framework, a trimethyl substituent at position 4, a double bond at position 8, and a methyl group at position 11. (1R,4E,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one is a versatile building block in organic synthesis and research, valued for its distinctive structure and reactivity.

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  • (4E)-4,11,11-trimethyl-8-methylidene-bicyclo[7.2.0]undec-4-en-3-one

    Cas No: 62346-22-9

  • USD $ 1.9-2.9 / Gram

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  • 62346-22-9 Structure
  • Basic information

    1. Product Name: (1R,4E,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one
    2. Synonyms: (1R,4E,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one;Buddledin C
    3. CAS NO:62346-22-9
    4. Molecular Formula: C15H22O
    5. Molecular Weight: 218.3346
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 62346-22-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 316.2°Cat760mmHg
    3. Flash Point: 141.2°C
    4. Appearance: /
    5. Density: 0.96g/cm3
    6. Vapor Pressure: 0.000418mmHg at 25°C
    7. Refractive Index: 1.503
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (1R,4E,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one(CAS DataBase Reference)
    11. NIST Chemistry Reference: (1R,4E,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one(62346-22-9)
    12. EPA Substance Registry System: (1R,4E,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one(62346-22-9)
  • 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: 62346-22-9(Hazardous Substances Data)

62346-22-9 Usage

Uses

Used in Organic Synthesis:
(1R,4E,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one is used as a key intermediate in organic synthesis for the development of new compounds and materials. Its unique structure and reactivity make it a valuable component in creating complex organic molecules.
Used in Research:
In research settings, (1R,4E,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one serves as a model compound to study the properties and reactions of bicyclic systems. It aids in understanding the behavior of similar compounds and contributes to the advancement of synthetic methodologies.
Used in Pharmaceutical Development:
(1R,4E,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one is used as a potential candidate in pharmaceuticals. Its unique structure may offer novel therapeutic properties, and ongoing research could lead to the discovery of new drugs based on its framework.
Used in Agrochemicals:
(1R,4E,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one may also find applications in agrochemicals, where its specific reactivity and structural features could be harnessed to develop new pesticides or other agricultural chemicals.
Used in Materials Science:
(1R,4E,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one has potential uses in materials science, where its properties could be exploited to create new materials with unique characteristics for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 62346-22-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,2,3,4 and 6 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 62346-22:
(7*6)+(6*2)+(5*3)+(4*4)+(3*6)+(2*2)+(1*2)=109
109 % 10 = 9
So 62346-22-9 is a valid CAS Registry Number.
InChI:InChI=1/C15H22O/c1-10-6-5-7-11(2)14(16)8-13-12(10)9-15(13,3)4/h7,12-13H,1,5-6,8-9H2,2-4H3/b11-7+

62346-22-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one

1.2 Other means of identification

Product number -
Other names 3-keto-trans-caryophyllene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:62346-22-9 SDS

62346-22-9Relevant articles and documents

Chemical Examination of Premna Species: Part X - New Isoprenoids from the Root Barks of Premna integrifolia Linn. and P. latifolia var. mollissima

Bheemasankara Rao, Ch.,Gopala Krishna, P.,Suseela, K.

, p. 403 - 407 (2007/10/02)

A new sesquiterpene, 5-hydroxy-4,5-dihydrocaryophyllen-3-one (IVa) and two new diterpenes (i) 11β-hydroxy-7-ketosandaracopimar-8(14),15-diene (IIIa) and (ii) premnenol (Va) along with known premnaspirodiene, sandaracopimar-8(14),15-diene, caryophyllen-3-one (Ia), 7α-hydroxysandaracopimar-8(14),15-diene (II) in addition to alkanols and phytosterols are reported from the root bark of Premna integrifolia Linn.A new hydroxypimarene identified as 1β-hydroxyisopimar-7,15-diene (VIIIa) is also reported from the root bark of P. latifolia var. mollissima.

179. New Carbonyl Compounds in the High-Boiling Fraction of Lavender Oil

Kaiser, Roman,Lamparsky, Dietmar

, p. 1843 - 1849 (2007/10/02)

In addition to the sesquiterpenoid compounds reported in (1) the in-depth analysis of lavender oil also led to the identification of new constituents with caryophyllane (1-6), cedrane (7 and 8) and other skeletons (9-12).Spectroscopic properties as well as partial syntheses of these compounds are discussed.

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