Dehydropachymic acid

Basic Information

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CAS Number

77012-31-8

Molecular Formula

C33H50O5

Molecular Weight

526.76 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

265-267 ºC

Density

1.11±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (1.0E-4 g/L) (25 ºC),

SMILES

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CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C)O)C(=O)O

InChI

InChI=1S/C33H50O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h12,14,19,22,25-28,35H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,31-,32+,33+/m1/s1

InChIKey

RWIALJIVPUCERT-MTQSUPFQSA-N

LogP

7.107400000000008

Topological Polar Surface Area

83.83000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

1070

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

AKOS037514944
CHEMBL4100088
dehydropachymic acid
GLXC-14800
77012-31-8
(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
HY-N2991
MS-29753
CS-0023646
Dehydropachymic acid
(3beta,16alpha)-3-(Acetyloxy)-16-hydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid
delta9(11)-Dehydropachymic acid
2-[(5R,10S,13S,14R)-3-Acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H
(2R)-2-[(3S,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17
9-Dehydropachymic acid,Δ9(11)-Dehydropachymicacid

MDL Number

MFCD29904530

FAQ

What regulatory guidelines apply to dehydropachymic acid (CAS: 77012-31-8)?

Dehydropachymic acid (CAS: 77012-31-8) is regulated by various agencies. It falls under the GHS classification system for hazardous chemicals. In the EU, it must comply with REACH regulations, ensuring that manufacturers and importers register substances above a certain tonnage. FDA and EPA regulations may also apply, particularly in the context of its use in food additives and environmental releases.

Are there alternatives to dehydropachymic acid (CAS: 77012-31-8) in synthesis?

Yes, there are alternatives to dehydropachymic acid (CAS: 77012-31-8) in synthesis. Common substitutes include benzoic acid, salicylic acid, and other aromatic carboxylic acids. These alternatives can offer similar functionality depending on the specific application, reducing the need for dehydropachymic acid in various chemical processes.

What is the market or research trend for dehydropachymic acid (CAS: 77012-31-8)?

The market for dehydropachymic acid (CAS: 77012-31-8) is showing steady growth due to its use in pharmaceuticals and natural product research. Recent research trends focus on its potential as a bioactive compound. Market demand is anticipated to increase with ongoing studies on its biological activities and applications in medicinal chemistry.

How should waste containing dehydropachymic acid (CAS: 77012-31-8) be handled?

Waste containing dehydropachymic acid (CAS: 77012-31-8) should be managed carefully to ensure environmental safety. Collect waste in appropriate containers and store them in a well-ventilated area away from ignition sources. Incineration in a licensed facility is recommended for disposal, ensuring that all environmental protection precautions are followed. Contact local authorities or waste management companies for professional disposal services.