(3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-[(1E)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione | CAS No. 50980-32-0

(3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-[(1E)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione

Basic Information

CAS Number

50980-32-0

Molecular Formula

C23H30O5

Molecular Weight

386.49 g/mol

AD

Basic Physical Properties

CCCCCCCC(=O)[C@@H]1[C@H]2CC3=C(COC(=C3)/C=C/C)C(=O)[C@@]2(OC1=O)C

InChI

InChI=1S/C23H30O5/c1-4-6-7-8-9-11-19(24)20-18-13-15-12-16(10-5-2)27-14-17(15)21(25)23(18,3)28-22(20)26/h5,10,12,18,20H,4,6-9,11,13-14H2,1-3H3/b10-5+/t18-,20+,23-/m1/s1

InChIKey

AQTJNEHGKRUSLT-ODTNPMSZSA-N

LogP

4.223500000000004

Topological Polar Surface Area

69.67000000000002 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

757

Synonyms & References

English

  • Ankaflavin
  • (3S,3aR,9aR)-3a,4,8,9a-Tetrahydro-9a-methyl-3-(1-oxooctyl)-6-(1E)-1-propen-1-yl-2H-furo[3,2-g][2]benzopyran-2,9(3H)-dione

FAQ

What regulatory guidelines apply to (3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-[(1E)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione (CAS: 50980-32-0)?

The compound (3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-[(1E)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione (CAS: 50980-32-0) falls under the scope of the GHS classification system for hazardous chemicals. It may be regulated under REACH in the EU, requiring registration if the quantity exceeds certain thresholds. In the US, FDA and EPA may have specific requirements for its import, use, and disposal. Compliance with local and national regulations is essential to ensure safe handling and use.

Are there alternatives to (3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-[(1E)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione in synthesis?

For the synthesis of (3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-[(1E)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione (CAS: 50980-32-0), researchers and chemists may consider using related isomers or analogs such as (3R,3aS,9aR)-9a-methyl-3-octanoyl-6-[(1Z)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione. Alternatively, other reagents like acetyl chloride can be explored as potential substitutes for octanoyl groups in similar synthetic pathways.

What is the market or research trend for (3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-[(1E)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione (CAS: 50980-32-0)?

The market for (3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-[(1E)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione (CAS: 50980-32-0) is currently characterized by increasing research interest in its potential applications in fragrance and flavor industries. Additionally, there is a growing trend towards developing sustainable and eco-friendly synthesis routes, which may influence future market dynamics. The compound's unique structure and properties suggest it may find new niche applications in the coming years.

How should waste containing (3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-[(1E)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione (CAS: 50980-32-0) be handled?

Waste containing (3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-[(1E)-1-propen-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione (CAS: 50980-32-0) should be collected in appropriate containers and disposed of through professional waste disposal services to ensure proper handling. Incineration can be a suitable method for disposal, but it must be conducted in accordance with local regulations. Environmental protection measures should be taken to prevent contamination of soil and water. Always consult local hazardous waste disposal guidelines to ensure compliance with all regulations.

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