VITAMIN D3 | CAS No. 511-28-4

VITAMIN D3

Basic Information

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CAS Number

511-28-4

Molecular Formula

C28H46O

Molecular Weight

398.68 g/mol

Chemical Classification

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

97 ºC

Specific Rotation

D18 +89.3° (c = 0.47 in acetone)

SMILES

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CC(C)C(C)CCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

InChI

InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22?,25+,26-,27+,28-/m1/s1

InChIKey

DIPPFEXMRDPFBK-BCCQJCSJSA-N

LogP

7.865000000000008

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

639

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H330 Fatal if inhaled
Acute toxicity, inhalation

H372 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

22,23-dihydroercalciol
22-DIHYDROERGOCALCIFEROL(5Z,7E)-(3S)-9,10-SECO-5,7,10(19)-ERGOSTATRIEN-3-OL(24S)-METHYLCALCIOL
HY-75958
ERGOCALCIFEROL, 22,23-DIHYDRO-
9,10-SECOERGOSTA-5,7,10(19)-TRIEN-3-OL, (3.BETA.,5Z,7E)-
ERGOCALCIFEROL IMPURITY G [EP IMPURITY]
(5Z,7E)-(3S)-9,10-Seco-5,7,10(19)-ergostatrien-3-ol
CYCLOHEXANOL, 4-METHYLENE-3-((2E)-2-((1R,3AS,7AR)-OCTAHYDRO-7A-METHYL-1-((1R,4S)-1,4,5-TRIMETHYLHEXYL)-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1S,3Z)-
VITAMIND3
CS-0804
(5Z,7E)-9,10-SECOERGOSTA-5,7,10(19)-TRIEN-3.BETA.-OL
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
24S-Methylcalciol
DTXSID801026994
Q2706046
22-Dihydroergocalciferol
(3S)-9,10-seco-5Z,7E,10(19)-ergostatrien-3-ol
(3S,5Z,7E)-9,10-secoergosta-5,7,10(19)-trien-3-ol
SCHEMBL1030053
Vitamin D4
VITAMIN D4 (VD4)
CHEBI:33237
511-28-4
AC-26351
22,23-Dihydrovitamin D2
EINECS 208-127-5
(3beta,5Z,7E)-9,10-secoergosta-5,7,10(19)-trien-3-ol
22,23-dihydroergocalciferol
22,23-Dihydroergocalciferol, >=97.0% (HPLC)
C18192
(5Z,7E)-(3S)-9,10-secoergosta-5,7,10(19)-trien-3-ol

MDL Number

MFCD18781880

FAQ

What are the physical and chemical properties of Vitamin D3 (CAS: 511-28-4)?

Vitamin D3 (CAS: 511-28-4) is a white, crystalline solid with a molecular weight of approximately 391.65 g/mol. It has a solubility of up to 0.125 g/L in water and is highly soluble in organic solvents like chloroform and ethyl acetate. Vitamin D3 is relatively stable under normal storage conditions but can undergo hydrolysis and photodegradation. It does not readily react with most metals but can undergo oxidation in the presence of air and light.

How is Vitamin D3 (CAS: 511-28-4) typically synthesized?

Vitamin D3 (CAS: 511-28-4) is typically synthesized through the photolysis of 7-dehydrocholesterol in the presence of ultraviolet light, which is a natural process in the skin. For industrial production, synthetic methods involve the conversion of 7-dehydrocholesterol to Vitamin D3 using UV light, followed by chemical modification and purification steps. The process often uses a catalyst like nickel to enhance the conversion efficiency.

What industries use Vitamin D3 (CAS: 511-28-4)?

Vitamin D3 (CAS: 511-28-4) is widely used in the pharmaceutical industry for the treatment of osteoporosis and rickets. It is also utilized in the food industry as a dietary supplement and fortification agent. Additionally, it is applied in the cosmetic industry for its skin health benefits. In research, it is used in the development of sensors and semiconductors due to its photochemical properties.

What precautions should be taken when handling Vitamin D3 (CAS: 511-28-4)?

When handling Vitamin D3 (CAS: 511-28-4), it is important to use appropriate personal protective equipment (PPE) such as gloves and goggles. Work should be conducted in a well-ventilated area or fume hood to avoid inhalation of dust. Spills should be cleaned up immediately using appropriate absorbents, and the area should be thoroughly washed down. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions to ensure safe laboratory practices.