{3-Oxo-2-[(2E)-(3,4,4,5,5,5-~2~H_6_)-2-penten-1-yl]cyclopentyl}acetic acid | CAS No. 221682-79-7

{3-Oxo-2-[(2E)-(3,4,4,5,5,5-~2~H_6_)-2-penten-1-yl]cyclopentyl}acetic acid

Basic Information

CAS Number

221682-79-7

Molecular Formula

C12H12D6O3

Molecular Weight

216.31 g/mol

AD

Basic Physical Properties

[2H]/C(=C\CC1C(CCC1=O)CC(=O)O)/C([2H])([2H])C([2H])([2H])[2H]

InChI

InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3+/i1D3,2D2,3D

InChIKey

ZNJFBWYDHIGLCU-GZEOTGRGSA-N

LogP

2.4127

Topological Polar Surface Area

54.370000000000005 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Synonyms & References

English

  • D6-(±)-Jasmonic acid
  • 2H6](±)-JASMONIC ACID (DILUTED IN ACETONITRIL : WATER 1 : 1)
  • [2H6](±)-JASMONIC ACID (D-JA)
  • D6-(±)-Jasmonic acid (99.2 ATOM% D)
  • (±)-Jasmonic acid-D6

FAQ

What regulatory guidelines apply to [3-Oxo-2-[(2E)-(3,4,4,5,5,5-2H_6)-2-penten-1-yl]cyclopentyl]acetic acid (CAS: 221682-79-7)?

This compound falls under the scope of the REACH regulation in the EU, which requires registration of substances above 1 tonne per year. It also complies with the GHS classification for physical and health hazards. In the USA, it is regulated by the EPA and FDA for environmental and safety purposes, respectively.

Are there alternatives to [3-Oxo-2-[(2E)-(3,4,4,5,5,5-2H_6)-2-penten-1-yl]cyclopentyl]acetic acid (CAS: 221682-79-7) in synthesis?

Alternative reagents like [2-(3,4,4,5,5,5-hexahydro-2-penten-1-yl)-3-oxocyclopentyl]acetic acid can be used as a milder precursor in synthesis. Isomers and analogs may also serve as viable alternatives depending on the specific application.

What is the market or research trend for [3-Oxo-2-[(2E)-(3,4,4,5,5,5-2H_6)-2-penten-1-yl]cyclopentyl]acetic acid (CAS: 221682-79-7)?

The compound is gaining interest in pharmaceutical and chemical research for its potential in drug discovery and material science. Market trends show increasing demand, particularly in novel drug candidates and advanced materials.

How should waste containing [3-Oxo-2-[(2E)-(3,4,4,5,5,5-2H_6)-2-penten-1-yl]cyclopentyl]acetic acid (CAS: 221682-79-7) be handled?

Waste should be collected in appropriate containers and stored separately. For incineration, ensure compliance with local regulations. Professional waste disposal companies are recommended for safe and environmentally friendly handling. Proper labeling is essential to prevent environmental contamination.

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