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Screening compounds

Xanthophyll

Also known as Lutein ester, xanthophyll from alfalfa, cis-Lutein

CAS 38327-39-8Formula C40H56O2Molar mass 568.89 g/mol
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Xanthophyll chemical structure, C40H56O2, CAS 38327-39-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
38327-39-8
Formula
C40H56O2
Molar mass
568.89 g/mol
HS code
290619
Category
Screening compounds

What is Xanthophyll?

Plain description, key identifiers and synonyms

Xanthophyll is a chemical substance with the molecular formula C40H56O2 and a molar mass of 568.89 g/mol. Its CAS registry number is 38327-39-8. The IUPAC name is 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-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-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-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-ol
CAS number
38327-39-8Other or deprecated CAS: 127-40-2
Molecular formula
C40H56O2
InChIKey
KBPHJBAIARWVSC-DKLMTRRASA-N
InChI
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
Canonical SMILES
CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CC(O)CC1(C)C
Isomeric SMILES
CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(=CC(CC2(C)C)O)C)/C)/C

Synonyms

  • Lutein ester
  • xanthophyll from alfalfa
  • cis-Lutein
  • (Z)-xanthophyll
  • Lutein [M+H]+
  • 3,3'-Dihydroxy-alpha-Carotin
  • beta,3'-diol, (3R,3'R,6'R)-
  • 4',5'-Didehydro-5',6'-dihydro-beta,beta-carotene-3,3'-diol
  • (1R)-4-[18-[(1R,4R)-4-hydroxy-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-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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
568.89 g/molcalc.
Exact mass
568.428 Dacalc.
LogP (octanol/water)
10.4calc.
Topological polar surface area
40.46 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
10calc.
Heavy atoms
42calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.45calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Fails (2 violations)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(=CC=CC=CC=CC=CC1C=CCCC1)C=CC=CC=CC=CC1=CCCCC1

C(=CC=CC=CC=CC=CC1C=CCCC1)C=CC=CC=CC=CC1=CCCCC1

2 rings, 30 atoms.

19 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Xanthophyll suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 6 suppliers
6 of 6 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

6 suppliers in 2 countries

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Xanthophyll price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2906.19Indicative HS code

Cyclanic, cyclenic or cycloterpenic, other

World exports in 2024
$613M
+18.7% vs 2023, imports $606M
2019 to 2024
Top exporters
  1. China34.2%
  2. India * partner reported10.1%
  3. Germany9.5%
Top importers
  1. United States19.8%
  2. Germany9.0%
  3. India * partner reported8.4%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Xanthophyll?

Xanthophyll is a chemical substance with the molecular formula C40H56O2 and a molar mass of 568.89 g/mol. Its CAS registry number is 38327-39-8.

What is the CAS number of Xanthophyll?

The CAS registry number of Xanthophyll is 38327-39-8. Other or deprecated CAS numbers: 127-40-2.

What is the molecular formula and weight of Xanthophyll?

The molecular formula of Xanthophyll is C40H56O2 and its molar mass is 568.89 g/mol.

What is Xanthophyll used for?

Known uses and roles of Xanthophyll include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Xanthophyll hazardous?

No GHS hazard classification for Xanthophyll is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Xanthophyll?

Xanthophyll is usually classified under HS code 290619 (Cyclanic, cyclenic or cycloterpenic, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Xanthophyll?

CompoundList lists 6 suppliers of Xanthophyll in China and Spain. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Xanthophyll?

Suppliers quote Xanthophyll 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 Xanthophyll

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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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