(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl myristate

Basic Information

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CAS Number

16561-29-8

Molecular Formula

C36H56O8

Molecular Weight

616.84 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

White powder

Melting Point

162 °F (NTP, 1992)

Boiling Point

698.1°C at 760 mmHg

Water Solubility

Very soluble in methanol, soluble in DMSO, chloroform, ethanol or acetone, ether, ethyl acetate, DMF or acetonitrile. Insoluble in water.

Solubility

Insuluble (1.4E-5 g/L) (25 ºC),

Refractive Index

1.4900 (estimate)

Vapor Pressure

1.8X10-17 mm Hg at 25 °C (est)

SMILES

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CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@H]3[C@]1(OC(=O)C)C3(C)C)C=C(C[C@]1([C@H]2C=C(C1=O)C)O)CO

InChI

InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1

InChIKey

PHEDXBVPIONUQT-RGYGYFBISA-N

LogP

5.7529000000000075

Topological Polar Surface Area

130.36 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

1150

Safety Information

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GHS Hazard Pictograms

H315

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

Hazard Class

Class 6.1(a) Class 6.1(a)

Storage Conditions

-20℃

Sensitiveness

Light Sensitive

Synonyms & References

English

Tetradecanoic acid,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester
12-O-tetradecanoyl phorbol-13-acetate
4β-Phorbol 12-Myristate 13-Acetate
Invivogen
PHORBOL 12-MYRISTATE 13-ACETATE
PMA
PMA (TPA,Cocarcinogen A1,12-O-Tetradecanoyl-phorbol 13-Acetate,Phorbol 12-myristate 13-acetate)
Tetradecanoic acid,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-de...
12-O-Tetradecanoylphorbol 13-acetate
4β,9α,12β,13α,20-Pentahydroxytiglia-1,6-dien-3-one 12-tetradecanoate 13-acetate
TPA
12-o-tetradecanoyl phorbol acetate
factora1
Cocarcinogen A1
Cocarcinogen C3
pma(tumorpromoter)
factora1[crotonoil]
factora1(crotonoil)
phorbolmyristateacetate
phorbolacetate,myristate
12-O-Tetradecanoylphorbol-13-acetate
,9aalpha))-
Factor A1
Phorbol myristate acetate
Factor A1 (croton oil)
Phorbol ester
Tetradecanoylphorbol acetate
PMA (tumor promot
Phorbol 12-myristate 13-acetate
12-O-Tetradecanoylphorbol 13-acetate,12-Tetradecanoylphorbol 13-monoacetate,4β-Phorbol 12-myristate ...

MDL Number

MFCD00036736

Customs Code

29153900

FAQ

What are the physical and chemical properties of (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl myristate (CAS: 16561-29-8)?

This compound is a complex organic molecule with a molecular weight of approximately 670.83 g/mol. It exhibits polar solubility and is typically crystalline at room temperature. Chemically, it is highly reactive due to the presence of multiple functional groups, including hydroxyl, methyl, and ester groups. It is sensitive to strong acids and bases, and its reactivity can be influenced by pH conditions.

How is (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl myristate (CAS: 16561-29-8) typically synthesized?

This compound can be synthesized through a multi-step process involving acetylation, esterification, and cyclization reactions. The synthesis typically requires the use of strong acids and bases as catalysts. The yield and selectivity depend on the reaction conditions, and it is important to monitor the progress using techniques such as GC-MS or NMR.

What industries use (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl myristate (CAS: 16561-29-8)?

This compound is primarily used in the pharmaceutical industry due to its potential as a therapeutic agent. It may also find applications in the cosmetic industry as a skin care ingredient. Its unique chemical structure makes it suitable for functionalization in various polymers and sensors, although more research is needed to explore its full potential in these areas.

What precautions should be taken when handling (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl myristate (CAS: 16561-29-8)?

When handling this compound, ensure the use of proper personal protective equipment (PPE) such as gloves and safety goggles. Store it in a cool, dry place away from heat and direct sunlight. In case of spill, dispose of according to local regulations and refer to the Safety Data Sheet (SDS) for detailed instructions. Fume hoods should be used during any synthesis or handling operations to minimize exposure to airborne particles.