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Vitamin D3 chemical structure, C27H44O, CAS 67-97-0
2D chemical structure

Key facts

What buyers check first

Appearance
Fine needles from dilute acetone
Melting point
84 to 85
Solubility
Sol in the usual org solvents, slightly sol in vegetable oils
HS code
293629
Category
Vitamins and nutraceutical actives
UN number
UN 2811
Illustrative photo, closed jumbo bulk bags in a warehouse in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Vitamin D3?

Plain description, key identifiers and synonyms

Calciol is a hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone. It has a role as a geroprotector and a human metabolite. It is a steroid hormone, a secondary alcohol, a seco-cholestane, a hydroxy seco-steroid and a member of D3 vitamins.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CAS number
67-97-0 CAS number cross-checkedOther or deprecated CAS: 22350-41-0, 2416217-93-9, 8050-67-7
EC numbers
200-673-2, 617-097-6
Molecular formula
C27H44O
UNII
1C6V77QF41
MDL number
MFCD00078131
INCI name
CHOLECALCIFEROL
InChIKey
QYSXJUFSXHHAJI-YRZJJWOYSA-N
InChI
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
Canonical SMILES
C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)C
Isomeric SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C

Synonyms

  • cholecalciferol
  • Colecalciferol
  • Calciol
  • Oleovitamin D3
  • Ricketon
  • Arachitol
  • Deparal
  • Trivitan
  • Vigorsan
  • Delsterol
  • Vigantol
  • Ebivit
  • D3-Vigantol
  • vitamin d-3
  • Colecalcipherol
  • Colecalciferolum
  • Cholecalciferolum
  • Vitinc Dan-Dee-3
  • D3-Vicotrat
  • Vi-de-3-hydrosol
  • NEO Dohyfral D3
  • Rampage
  • Vi-De3
  • (+)-Vitamin D3
  • Duphafral D3 1000
Show all 39 synonyms
  • Cholecalciferol, D3
  • Colecalciferolo
  • Provitina
  • Delta-D
  • Vitamin D 3
  • Vigantoletten
  • 9,10-Secocholesta-5,7,10(19)-trien-3-beta-ol
  • Vitamin d assay system suitability
  • (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol
  • (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
  • Vitamin d (cholecalciferol)
  • Vitamin d3 (as cholecalciferol)
  • (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-ol
  • (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Fine needles from dilute acetoneexp.
Odour
ODORLESSexp.
Melting point
84 to 85exp.
Solubility
Sol in the usual org solvents, slightly sol in vegetable oilsexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
384.65 g/molcalc.
Exact mass
384.3392 Dacalc.
LogP (octanol/water)
7.62calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
6calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.78calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C=C1CCCCC1=CC=C1CCCC2CCCC12

C=C1CCCCC1=CC=C1CCCC2CCCC12

3 rings, 18 atoms.

569 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H300Fatal if swallowed.
  • H310Fatal in contact with skin.
  • H330Fatal if inhaled.
  • H372Causes damage to organs through prolonged or repeated exposure.
Precautionary statements (19)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P319Get medical help if you feel unwell.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 2811

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Vitamin D3 suppliers

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Where suppliers are based

295 suppliers in 46 countries

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Vitamin D3 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Veterinary medication:.

Medicine (antirachtic vitamin).

Cosmetic ingredient, INCI name CHOLECALCIFEROL(oral care, skin conditioning - miscellaneous)

Pharmacological actions

  • Bone Density Conservation Agents
  • Calcium-Regulating Hormones and Agents
  • Vitamins

Roles

  • anti-anaemic agent
  • anti-asthmatic agent
  • anti-inflammatory agent
  • anti-obesity agent
  • antibacterial agent
  • anticholesteremic drug
  • anticonvulsant
  • antidepressant
  • antiinfective agent
  • antimicrobial agent
  • antineoplastic agent
  • antiparkinson drug
  • antipsoriatic
  • antipsychotic agent
  • antispasmodic drug
  • antitubercular agent
  • bone density conservation agent
  • cardiovascular drug
  • dermatologic drug
  • geroprotector
  • hypoglycemic agent
  • immunosuppressive agent
  • nasal decongestant
  • ophthalmology drug

Functional uses

  • Biocide
  • Flavouring and nutrient
  • Pharmaceutical
  • Softener and conditioner

Cosmetic functions

  • Oral care
  • Skin conditioning - miscellaneous

Pharmacology

Cholecalciferol is a Vitamin D.

How it is made

Prepd by irradiation of its provitamin 7-dehydrocholestrol

Isolated in crystalline state from the 3,5-dinitrobenzoate, produced by irradiation & equivalent in activity to the vitamin D3 of tuna liver oil.

Occurs in and is isolated from fish liver oils. It also is manufactured by ultraviolet irradiation of 7-dehydrocholesterol produced from cholesterol and is purified by crystallization.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 603-180-00-4

Health and food

  • EU cosmetic ingredient inventory
  • Active ingredient in FDA approved drug labels

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Vitamin D3 is traded under.

HS 2936.29Indicative HS code

Vitamins and their derivatives, unmixed, other vitamins and their derivatives

World exports in 2024
$2.21B
+8.7% vs 2023, imports $1.85B
2019 to 2024
Top exporters
  1. China25.3%
  2. United States14.5%
  3. Australia13.8%
Top importers
  1. United States16.4%
  2. Netherlands9.4%
  3. Spain5.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Vitamin D3 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Vitamin D3, based on the data on this page

What is Vitamin D3?

Calciol is a hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group.

What is the CAS number of Vitamin D3?

The CAS registry number of Vitamin D3 is 67-97-0. Other or deprecated CAS numbers: 22350-41-0, 2416217-93-9, 8050-67-7.

What is the molecular formula and weight of Vitamin D3?

The molecular formula of Vitamin D3 is C27H44O and its molar mass is 384.65 g/mol.

What is Vitamin D3 used for?

Veterinary medication:. Medicine (antirachtic vitamin).

Is Vitamin D3 hazardous?

Vitamin D3 carries the GHS signal word "Danger". Main hazards: fatal if swallowed, fatal in contact with skin, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Vitamin D3?

Vitamin D3 is usually classified under HS code 293629 (Vitamins and their derivatives, unmixed, other vitamins and their derivatives). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vitamin D3?

CompoundList lists 295 suppliers of Vitamin D3 in China, India, United States, Germany and 42 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Vitamin D3 in India?

63 suppliers in India list Vitamin D3 on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Vitamin D3?

Suppliers quote Vitamin D3 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Vitamin D3

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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