beta,beta-Carotene-4,4'-diyl dihexadecanoate

Basic Information

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CAS Number

547-17-1

Molecular Formula

C72H116O4

Molecular Weight

1045.72 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

SMILES

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CCCCCCCCCCCCCCCC(=O)OC1CC(=C(C(C1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C)C)C)C

InChI

InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-67-55-57-71(9,10)65(63(67)7)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-66-64(8)68(56-58-72(66,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-54,67-68H,13-38,49-50,55-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+

InChIKey

UQPJDEOXFPTDNL-HZXCUAKRSA-N

LogP

22.611800000000017

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

1980

Synonyms & References

English

Lutein dipalmitate
.beta.,.epsilon.-Carotene-3,3'-diol, dihexadecanoate, (3R,3'R,6'R)-
Palmitato de xantofila [INN-Spanish]
XANTOFYL PALMITATE [WHO-DD]
[(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hexadecanoyloxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-yl] hexadecanoate
D01031
(R)-3,5,5-trimethyl-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-((1R,4R)-2,6,6-trimethyl-4-(palmitoyloxy)cyclohex-2-enyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl)cyclohex-3-enyl palmitate
Xantofyli palmitas [INN-Latin]
AC1NQY93
MFCD00198032
AKOS040761824
beta,epsilon-Carotene-3,3'-diol, dihexadecanoate, (3R,3'R,6'R)-
HY-N8731
Xantofyl palmitate (INN)
(6'R)-beta,epsilon-Carotene-3(R),3'(R)-diol dipalmitate
XANTOFYL PALMITATE [MART.]
Lutein dipalmitinsaeureester
UNII-V2W1791D7V
C08597
Palmitate de xantofyle [INN-French]
beta-Carotene-4,4'-diol dipalmitate
HELENIEN [JAN]
Xanthophyll dipalmitate
Xantofil palmitato
.BETA.,.EPSILON.-CAROTENE-3,3'-DIOL, 3,3'-DIHEXADECANOATE, (3R,3'R,6'R)-
Xantofyl palmitate [INN]
[(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hexadecanoyloxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl] hexadecanoate
Palmitato de xantofila
547-17-1
Helenien
Xantofil palmitato [DCIT]

MDL Number

MFCD00198032

FAQ

What are the physical and chemical properties of beta,beta-Carotene-4,4'-diyl dihexadecanoate (CAS: 547-17-1)?

Beta,beta-Carotene-4,4'-diyl dihexadecanoate (CAS: 547-17-1) is a solid with a crystalline form. Its molecular weight is approximately 1048 g/mol. It has a low solubility in water but is highly soluble in organic solvents like hexane and toluene. Chemically, it is quite stable under normal conditions but can be sensitive to strong oxidizing agents. It is primarily used in food coloring and nutritional supplements due to its carotenoid properties.

How is beta,beta-Carotene-4,4'-diyl dihexadecanoate (CAS: 547-17-1) typically synthesized?

Beta,beta-Carotene-4,4'-diyl dihexadecanoate (CAS: 547-17-1) is typically synthesized through the esterification of beta-carotene with hexadecanoic acid. This process involves reacting beta-carotene with hexadecanoic acid in the presence of a catalyst such as sulfuric acid to form the desired dihexadecanoate ester. The reaction is carried out under mild conditions to achieve high selectivity and yield.

What industries use beta,beta-Carotene-4,4'-diyl dihexadecanoate (CAS: 547-17-1)?

Beta,beta-Carotene-4,4'-diyl dihexadecanoate (CAS: 547-17-1) is primarily used in the food industry for its natural colorant properties. It is also used in the pharmaceutical industry as a dietary supplement and in cosmetics for its antioxidant and skin health benefits. Additionally, it has applications in polymers and as a flavor stabilizer in certain food products.

What precautions should be taken when handling beta,beta-Carotene-4,4'-diyl dihexadecanoate (CAS: 547-17-1)?

When handling beta,beta-Carotene-4,4'-diyl dihexadecanoate (CAS: 547-17-1), it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spills, use appropriate containment and clean up with care, as it may stain surfaces. Always refer to the safety data sheet (SDS) for detailed safety information and emergency procedures.