CompoundList
Sign in
Aromatic building blocks

Sorbicillin

Also known as (2E,4E)-1-(2,4-dihydroxy-3,5-dimethylphenyl)hexa-2,4-dien-1-one, (2E,4E)-1-(2,4-Dihydroxy-3,5-dimethylphenyl)-2,4-hexadien-1-one, 3-Hydroxy-2,4-dimethyl-6-(1-oxo-hexa-2,4-dienyl)phenol

CAS 79950-85-9Formula C14H16O3Molar mass 232.28 g/mol
Get quotes Safety data
Sorbicillin chemical structure, C14H16O3, CAS 79950-85-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
79950-85-9
Formula
C14H16O3
Molar mass
232.28 g/mol
HS code
291450
Category
Aromatic building blocks

What is Sorbicillin?

Plain description, key identifiers and synonyms

Sorbicillin is a member of phenols.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2E,4E)-1-(2,4-dihydroxy-3,5-dimethylphenyl)hexa-2,4-dien-1-one
CAS number
79950-85-9
Molecular formula
C14H16O3
UNII
2V94TML24G
InChIKey
RKKPUBAAIGFXOG-YTXTXJHMSA-N
InChI
InChI=1S/C14H16O3/c1-4-5-6-7-12(15)11-8-9(2)13(16)10(3)14(11)17/h4-8,16-17H,1-3H3/b5-4+,7-6+
Canonical SMILES
CC=CC=CC(=O)c1cc(C)c(O)c(C)c1O
Isomeric SMILES
C/C=C/C=C/C(=O)C1=C(C(=C(C(=C1)C)O)C)O

Synonyms

  • (2E,4E)-1-(2,4-dihydroxy-3,5-dimethylphenyl)hexa-2,4-dien-1-one
  • (2E,4E)-1-(2,4-Dihydroxy-3,5-dimethylphenyl)-2,4-hexadien-1-one
  • 3-Hydroxy-2,4-dimethyl-6-(1-oxo-hexa-2,4-dienyl)phenol
  • 2,4-Hexadien-1-one, 1-(2,4-dihydroxy-3,5-dimethylphenyl)-, (2E,4E)-
  • Osrbicilin
  • MEGxm0_000242
  • ACon0_000046
  • ACon1_001459
  • (2E,4E)-1-(2,4-Dihydroxy-3,5-dimethylphenyl)-2,4-hexadien-1-one #
  • 2,4-Hexadien-1-one, 1-(2,4-dihydroxy-3,5-dimethylphenyl)-, (E,E)-

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
232.28 g/molcalc.
Exact mass
232.1099 Dacalc.
LogP (octanol/water)
3.03calc.
Topological polar surface area
57.53 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
17calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.21calc.
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.

Sorbicillin suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Sorbicillin can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Sorbicillin 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.

Get latest price

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 Sorbicillin is traded under.

HS 2914.50Indicative HS code

Ketone-phenols and ketones with other oxygen function

World exports in 2024
$438M
+10.9% vs 2023, imports $420M
2019 to 2024
Top exporters
  1. China50.5%
  2. India * partner reported11.6%
  3. United States11.3%
Top importers
  1. United States20.8%
  2. Germany10.0%
  3. Netherlands8.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Sorbicillin?

Sorbicillin is a member of phenols.

What is the CAS number of Sorbicillin?

The CAS registry number of Sorbicillin is 79950-85-9.

What is the molecular formula and weight of Sorbicillin?

The molecular formula of Sorbicillin is C14H16O3 and its molar mass is 232.28 g/mol.

What is Sorbicillin used for?

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

Is Sorbicillin hazardous?

No GHS hazard classification for Sorbicillin 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 Sorbicillin?

Sorbicillin is usually classified under HS code 291450 (Ketone-phenols and ketones with other oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Sorbicillin?

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

What is the price of Sorbicillin?

Suppliers quote Sorbicillin 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 Sorbicillin

Get quotes for Sorbicillin

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Sorbicillin
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Sorbicillin with a 3D view, its CAS number and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/sorbicillin-79950-85-9" title="Sorbicillin structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Aromatic building blocks or HS code 291450

Price on request
Free quotes, contact stays private
Get quotes