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Screening compounds

Triphasiol

Also known as 2H-1-Benzopyran-2-one, 7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methyl-2-oxobutyl)-, 7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methyl-2-oxobutyl)-2H-chromen-2-one, 7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methyl-2-oxobutyl)chromen-2-one

CAS 81445-98-9Formula C19H24O6Molar mass 348.40 g/mol
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Triphasiol chemical structure, C19H24O6, CAS 81445-98-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
81445-98-9
Formula
C19H24O6
Molar mass
348.40 g/mol
HS code
293220
Category
Screening compounds

What is Triphasiol?

Plain description, key identifiers and synonyms

Triphasiol is a member of coumarins.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methyl-2-oxobutyl)chromen-2-one
CAS number
81445-98-9 CAS number cross-checked
Molecular formula
C19H24O6
InChIKey
DMSHDRKZHASQRO-UHFFFAOYSA-N
InChI
InChI=1S/C19H24O6/c1-11(2)14(20)9-13-15(24-10-16(21)19(3,4)23)7-5-12-6-8-17(22)25-18(12)13/h5-8,11,16,21,23H,9-10H2,1-4H3
SMILES (canonical and isomeric)
CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OCC(C(C)(C)O)O

Synonyms

  • 2H-1-Benzopyran-2-one, 7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methyl-2-oxobutyl)-
  • 7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methyl-2-oxobutyl)-2H-chromen-2-one
  • 7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methyl-2-oxobutyl)chromen-2-one
  • 7-(2,3-dihydroxy-3-methyl-butoxy)-8-(3-methyl-2-oxo-butyl)chromen-2-one
  • 7-(2,3-Dihydroxy-3-methylbutoxy)-8-(3-methyl-2-oxobutyl)-2H-1-benzopyran-2-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
348.40 g/molcalc.
Exact mass
348.1573 Dacalc.
LogP (octanol/water)
2.07calc.
Topological polar surface area
96.97 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
25calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.47calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 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, O=c1ccc2ccccc2o1

O=c1ccc2ccccc2o1

2 rings, 11 atoms, the Coumarin ring system.

3,845 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.

Triphasiol suppliers

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Triphasiol 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

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 Triphasiol is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Triphasiol?

Triphasiol is a member of coumarins.

What is the CAS number of Triphasiol?

The CAS registry number of Triphasiol is 81445-98-9.

What is the molecular formula and weight of Triphasiol?

The molecular formula of Triphasiol is C19H24O6 and its molar mass is 348.40 g/mol.

What is Triphasiol used for?

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

Is Triphasiol hazardous?

No GHS hazard classification for Triphasiol 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 Triphasiol?

Triphasiol is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Triphasiol?

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

What is the price of Triphasiol?

Suppliers quote Triphasiol 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 Triphasiol

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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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