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Aromatic building blocks

Capillin

Also known as 1-phenylhexa-2,4-diyn-1-one, 2,4-Hexadiynophenone, 1-Phenyl-2,4-hexadiyn-1-one

CAS 495-74-9Formula C12H8OMolar mass 168.20 g/mol
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Capillin chemical structure, C12H8O, CAS 495-74-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
495-74-9
Formula
C12H8O
Molar mass
168.20 g/mol
HS code
291439
Category
Aromatic building blocks

What is Capillin?

Plain description, key identifiers and synonyms

Capillin is a ynone and an aromatic ketone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-phenylhexa-2,4-diyn-1-one
CAS number
495-74-9 CAS number cross-checked
Molecular formula
C12H8O
UNII
9JXZ3SJG0I
InChIKey
RAZOKRUZEQERLH-UHFFFAOYSA-N
InChI
InChI=1S/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3
SMILES (canonical and isomeric)
CC#CC#CC(=O)C1=CC=CC=C1

Synonyms

  • 1-phenylhexa-2,4-diyn-1-one
  • 2,4-Hexadiynophenone
  • 1-Phenyl-2,4-hexadiyn-1-one
  • 2,4-Hexadiyn-1-one, 1-phenyl-
  • 2, 4-Hexadiynophenone
  • 1-Benzoyl-1,3-pentadiyne
  • 2,4-Hexadiynophenone, 8CI
  • 1-Phenyl-2,4-hexadiyn-1-one #
  • 2,4-Hexadiyn-1-one, 1-phenyl- (9CI)

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
168.20 g/molcalc.
Exact mass
168.0575 Dacalc.
LogP (octanol/water)
1.9calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
13calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.08calc.
Formal charge
0calc.
Stereocentres
0calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

Capillin suppliers

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Capillin 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.

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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 Capillin is traded under.

HS 2914.39Indicative HS code

Aromatic ketones without other oxygen function, other

World exports in 2024
$207M
−12.1% vs 2023, imports $191M
2019 to 2024
Top exporters
  1. China61.4%
  2. India * partner reported12.4%
  3. Italy7.6%
Top importers
  1. India * partner reported11.9%
  2. Germany9.9%
  3. United States8.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Capillin?

Capillin is a ynone and an aromatic ketone.

What is the CAS number of Capillin?

The CAS registry number of Capillin is 495-74-9.

What is the molecular formula and weight of Capillin?

The molecular formula of Capillin is C12H8O and its molar mass is 168.20 g/mol.

What is Capillin used for?

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

Is Capillin hazardous?

No GHS hazard classification for Capillin 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 Capillin?

Capillin is usually classified under HS code 291439 (Aromatic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Capillin?

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

What is the price of Capillin?

Suppliers quote Capillin 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 Capillin

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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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