CompoundList
Sign in
Aliphatic and alicyclic building blocks

Triophaxanthin

Also known as (3R)-3-Hydroxy-7,8-didehydro-7',8'-dihydro-7'-apo-beta-caroten-8'-one

CAS 36020-91-4Formula C31H40O2Molar mass 444.66 g/mol
Get quotes Safety data
Triophaxanthin chemical structure, C31H40O2, CAS 36020-91-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
36020-91-4
Formula
C31H40O2
Molar mass
444.66 g/mol
HS code
291440
Category
Aliphatic and alicyclic building blocks

What is Triophaxanthin?

Plain description, key identifiers and synonyms

Triophaxanthin is a chemical substance with the molecular formula C31H40O2 and a molar mass of 444.66 g/mol. Its CAS registry number is 36020-91-4. The IUPAC name is (3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one
CAS number
36020-91-4
Molecular formula
C31H40O2
InChIKey
SRFGYSDKAKCEJR-JRURUVFRSA-N
InChI
InChI=1S/C31H40O2/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(6)32)15-11-16-25(3)19-20-30-27(5)21-29(33)22-31(30,7)8/h9-18,29,33H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,23-13+,24-14+,25-16+,26-18+/t29-/m1/s1
Canonical SMILES
CC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C#CC1=C(C)CC(O)CC1(C)C
Isomeric SMILES
CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)C)/C)/C

Synonyms

  • (3R)-3-Hydroxy-7,8-didehydro-7',8'-dihydro-7'-apo-beta-caroten-8'-one

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
444.66 g/molcalc.
Exact mass
444.3028 Dacalc.
LogP (octanol/water)
7.53calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
7calc.
Heavy atoms
33calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
1calc.
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, C1=CCCCC1

C1=CCCCC1

1 ring, 6 atoms, the Cyclohexene ring system.

5,167 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.

Triophaxanthin suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Triophaxanthin can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Triophaxanthin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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 Triophaxanthin is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Triophaxanthin?

Triophaxanthin is a chemical substance with the molecular formula C31H40O2 and a molar mass of 444.66 g/mol. Its CAS registry number is 36020-91-4. The IUPAC name is (3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one.

What is the CAS number of Triophaxanthin?

The CAS registry number of Triophaxanthin is 36020-91-4.

What is the molecular formula and weight of Triophaxanthin?

The molecular formula of Triophaxanthin is C31H40O2 and its molar mass is 444.66 g/mol.

What is Triophaxanthin used for?

Known uses and roles of Triophaxanthin include building blocks in research and laboratory.

Is Triophaxanthin hazardous?

No GHS hazard classification for Triophaxanthin 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 Triophaxanthin?

Triophaxanthin is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Triophaxanthin?

Post a free request on CompoundList and suppliers of Triophaxanthin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Triophaxanthin?

Suppliers quote Triophaxanthin 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 Triophaxanthin

Get quotes for Triophaxanthin

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Triophaxanthin
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Triophaxanthin with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/triophaxanthin-36020-91-4" title="Triophaxanthin structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Aliphatic and alicyclic building blocks or HS code 291440

Price on request
Free quotes, contact stays private
Get quotes