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Aromatic building blocks

5PMePa

Also known as 1-methyl-4-((4-pentylphenyl)ethynyl)benzene, 1-methyl-4-[2-(4-pentylphenyl)ethynyl]benzene

CAS 182349-57-1Formula C20H22Molar mass 262.40 g/mol
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5PMePa chemical structure, C20H22, CAS 182349-57-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
182349-57-1
Formula
C20H22
Molar mass
262.40 g/mol
HS code
290290
Category
Aromatic building blocks

What is 5PMePa?

Plain description, key identifiers and synonyms

5PMePa is a chemical substance with the molecular formula C20H22 and a molar mass of 262.40 g/mol. Its CAS registry number is 182349-57-1. The IUPAC name is 1-methyl-4-[2-(4-pentylphenyl)ethynyl]benzene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-methyl-4-[2-(4-pentylphenyl)ethynyl]benzene
CAS number
182349-57-1
Molecular formula
C20H22
InChIKey
CWDBBYQEAQTSOU-UHFFFAOYSA-N
InChI
InChI=1S/C20H22/c1-3-4-5-6-18-11-13-20(14-12-18)16-15-19-9-7-17(2)8-10-19/h7-14H,3-6H2,1-2H3
SMILES (canonical and isomeric)
CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C

Synonyms

  • 1-methyl-4-((4-pentylphenyl)ethynyl)benzene
  • 1-methyl-4-[2-(4-pentylphenyl)ethynyl]benzene

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
262.40 g/molcalc.
Exact mass
262.1722 Dacalc.
LogP (octanol/water)
5.13calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
4calc.
Heavy atoms
20calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.3calc.
Formal charge
0calc.
Stereocentres
0calc.
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, C(#Cc1ccccc1)c1ccccc1

C(#Cc1ccccc1)c1ccccc1

2 rings, 14 atoms, the Diphenylacetylene ring system.

794 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.

5PMePa suppliers

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5PMePa 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 5PMePa 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 5PMePa is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 5PMePa, based on the data on this page

What is 5PMePa?

5PMePa is a chemical substance with the molecular formula C20H22 and a molar mass of 262.40 g/mol. Its CAS registry number is 182349-57-1. The IUPAC name is 1-methyl-4-[2-(4-pentylphenyl)ethynyl]benzene.

What is the CAS number of 5PMePa?

The CAS registry number of 5PMePa is 182349-57-1.

What is the molecular formula and weight of 5PMePa?

The molecular formula of 5PMePa is C20H22 and its molar mass is 262.40 g/mol.

What is 5PMePa used for?

Known uses and roles of 5PMePa include building blocks in research and laboratory.

Is 5PMePa hazardous?

No GHS hazard classification for 5PMePa 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 5PMePa?

5PMePa 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 5PMePa?

Post a free request on CompoundList and suppliers of 5PMePa will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 5PMePa?

Suppliers quote 5PMePa 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 5PMePa

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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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