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Vitamins and nutraceutical actives

Npc120474

Also known as Vitamin d2, 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, (3b,5Z,7E,22E)-, (1S,3E)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol

Formula C28H44OMolar mass 396.66 g/molEC 200-014-9
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Serious health hazard
Get quotes Safety data
Npc120474 chemical structure, C28H44O
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Prisms from acetone
Melting point
116.5 °C
Boiling point
Sublimes
Solubility
In water, 50 mg/L at 25 °C
HS code
293629
Category
Vitamins and nutraceutical actives
UN number
UN 2811
Illustrative photo, a shrink wrapped pallet of kraft paper sacks in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Npc120474?

Plain description, key identifiers and synonyms

Ergocalciferol appears as odorless white crystals. Used as a dietary supplement and food additive. (EPA, 1998)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,3E)-3-[(2E)-2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
EC number
200-014-9
Molecular formula
C28H44O
InChIKey
MECHNRXZTMCUDQ-UIDIZDHFSA-N
InChI
InChI=1S/C28H44O/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/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13+/t20-,22+,25-,26+,27?,28+/m0/s1
Canonical SMILES
C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)C=CC(C)C(C)C
Isomeric SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C

Synonyms

  • Vitamin d2
  • 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, (3b,5Z,7E,22E)-
  • (1S,3E)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol

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
Prisms from acetoneexp.
Odour
Odorlessexp.
Taste
Medications associated with a metallic or bitter taste include vitamin D.exp.
Melting point
116.5 °Cexp.
Boiling point
Sublimesexp.
Solubility
In water, 50 mg/L at 25 °Cexp.

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
396.66 g/molcalc.
Exact mass
396.3392 Dacalc.
LogP (octanol/water)
7.64calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
5calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.71calc.
Formal charge
0calc.
Stereocentres
6calc.
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

  • H301Toxic if swallowed.
  • H311Toxic 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

Npc120474 suppliers

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Npc120474 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:.

Rodenticide.

How it is made

/Is/ the synthetic form of vitamin D. Prepared from ergosterol by UV irradiation in a suitable solvent. ... The best wavelengths for production of vitamin D2 seem to be from 275 to 300 nm ... Prepn by electron bombardment of ergosterol using longer waves...

Usually obtained from yeast which synthesizes it from simple sugars such as glucose.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 603-179-00-9

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Npc120474 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 Npc120474 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc120474, based on the data on this page

What is Npc120474?

Ergocalciferol appears as odorless white crystals. Used as a dietary supplement and food additive. (EPA, 1998)

What is the molecular formula and weight of Npc120474?

The molecular formula of Npc120474 is C28H44O and its molar mass is 396.66 g/mol.

What is Npc120474 used for?

Veterinary medication:. Rodenticide.

Is Npc120474 hazardous?

Npc120474 carries the GHS signal word "Danger". Main hazards: toxic if swallowed, toxic 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 Npc120474?

Npc120474 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 Npc120474?

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What is the price of Npc120474?

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Guides for buyers

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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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