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Aromatic building blocks

Irene

Also known as 3,4,4,7-tetramethyl-2,3-dihydro-1H-naphthalene, 1,2,3,4-Tetrahydro-1,1,2,6-tetramethylnaphthalene, 1,2,3,4-tetrahydro-1,1,2,6-tetramethyl-naphthalene

CAS 1681-22-7Formula C14H20Molar mass 188.31 g/mol
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Irene chemical structure, C14H20, CAS 1681-22-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1681-22-7
Formula
C14H20
Molar mass
188.31 g/mol
HS code
290290
Category
Aromatic building blocks

What is Irene?

Plain description, key identifiers and synonyms

Irene is a chemical substance with the molecular formula C14H20 and a molar mass of 188.31 g/mol. Its CAS registry number is 1681-22-7. The IUPAC name is 3,4,4,7-tetramethyl-2,3-dihydro-1H-naphthalene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,4,4,7-tetramethyl-2,3-dihydro-1H-naphthalene
CAS number
1681-22-7
Molecular formula
C14H20
InChIKey
GICIECWTEWJCRE-UHFFFAOYSA-N
InChI
InChI=1S/C14H20/c1-10-5-8-13-12(9-10)7-6-11(2)14(13,3)4/h5,8-9,11H,6-7H2,1-4H3
SMILES (canonical and isomeric)
CC1CCC2=C(C1(C)C)C=CC(=C2)C

Synonyms

  • 3,4,4,7-tetramethyl-2,3-dihydro-1H-naphthalene
  • 1,2,3,4-Tetrahydro-1,1,2,6-tetramethylnaphthalene
  • 1,2,3,4-tetrahydro-1,1,2,6-tetramethyl-naphthalene

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
188.31 g/molcalc.
Exact mass
188.1565 Dacalc.
LogP (octanol/water)
3.85calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
14calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.57calc.
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)CCCC2

c1ccc2c(c1)CCCC2

2 rings, 10 atoms, the Tetralin ring system.

4,523 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.

Irene suppliers

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

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Irene 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 Irene is traded under.

HS 2902.90Indicative HS code

Cyclic hydrocarbons, other

World exports in 2024
$612M
−6.1% vs 2023, imports $670M
2019 to 2024
Top exporters
  1. China28.0%
  2. Germany13.9%
  3. India * partner reported12.6%
Top importers
  1. Germany11.1%
  2. United States10.6%
  3. South Korea8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Irene?

Irene is a chemical substance with the molecular formula C14H20 and a molar mass of 188.31 g/mol. Its CAS registry number is 1681-22-7. The IUPAC name is 3,4,4,7-tetramethyl-2,3-dihydro-1H-naphthalene.

What is the CAS number of Irene?

The CAS registry number of Irene is 1681-22-7.

What is the molecular formula and weight of Irene?

The molecular formula of Irene is C14H20 and its molar mass is 188.31 g/mol.

What is Irene used for?

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

Is Irene hazardous?

No GHS hazard classification for Irene 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 Irene?

Irene is usually classified under HS code 290290 (Cyclic hydrocarbons, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Irene?

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

What is the price of Irene?

Suppliers quote Irene 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 Irene

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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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