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Heterocyclic building blocks

Irfi 005

Also known as 5-Hydroxy-4,6,7-trimethyl-2,3-dihydrobenzofuran-2-acetic acid, Irfi-005, 5-Htdbaa

CAS 139232-40-9Formula C13H16O4Molar mass 236.27 g/mol
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Irfi 005 chemical structure, C13H16O4, CAS 139232-40-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
139232-40-9
Formula
C13H16O4
Molar mass
236.27 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Irfi 005?

Plain description, key identifiers and synonyms

Irfi 005 is a chemical substance with the molecular formula C13H16O4 and a molar mass of 236.27 g/mol. Its CAS registry number is 139232-40-9. The IUPAC name is 2-(5-hydroxy-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(5-hydroxy-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid
CAS number
139232-40-9 CAS number cross-checked
Molecular formula
C13H16O4
InChIKey
FUWYMDOAFXKROW-UHFFFAOYSA-N
InChI
InChI=1S/C13H16O4/c1-6-7(2)13-10(8(3)12(6)16)4-9(17-13)5-11(14)15/h9,16H,4-5H2,1-3H3,(H,14,15)
SMILES (canonical and isomeric)
CC1=C(C2=C(CC(O2)CC(=O)O)C(=C1O)C)C

Synonyms

  • 5-Hydroxy-4,6,7-trimethyl-2,3-dihydrobenzofuran-2-acetic acid
  • Irfi-005
  • 5-Htdbaa
  • 2-(5-hydroxy-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid
  • 2-(2,3-Dihydro-5-hydroxy-4,6,7-trimethylbenzofuranyl)acetic acid
  • (5-hydroxy-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid

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
236.27 g/molcalc.
Exact mass
236.1049 Dacalc.
LogP (octanol/water)
2.1calc.
Topological polar surface area
66.76 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
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, c1ccc2c(c1)CCO2

c1ccc2c(c1)CCO2

2 rings, 9 atoms, the Dihydrobenzofuran ring system.

4,354 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.

Irfi 005 suppliers

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

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Irfi 005 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 Irfi 005 is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Irfi 005 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Irfi 005, based on the data on this page

What is Irfi 005?

Irfi 005 is a chemical substance with the molecular formula C13H16O4 and a molar mass of 236.27 g/mol. Its CAS registry number is 139232-40-9. The IUPAC name is 2-(5-hydroxy-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid.

What is the CAS number of Irfi 005?

The CAS registry number of Irfi 005 is 139232-40-9.

What is the molecular formula and weight of Irfi 005?

The molecular formula of Irfi 005 is C13H16O4 and its molar mass is 236.27 g/mol.

What is Irfi 005 used for?

Known uses and roles of Irfi 005 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Irfi 005 hazardous?

No GHS hazard classification for Irfi 005 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 Irfi 005?

Irfi 005 is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Irfi 005?

Post a free request on CompoundList and suppliers of Irfi 005 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Irfi 005?

Suppliers quote Irfi 005 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 Irfi 005

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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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