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Aromatic building blocks

Orb2566596

Also known as (3S)-3-[4-(2,3-dimethylbut-2-enoxy)phenyl]hex-4-ynoic acid

CAS 2361497-72-3Formula C18H22O3Molar mass 286.37 g/mol
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Orb2566596 chemical structure, C18H22O3, CAS 2361497-72-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2361497-72-3
Formula
C18H22O3
Molar mass
286.37 g/mol
HS code
291899
Category
Aromatic building blocks

What is Orb2566596?

Plain description, key identifiers and synonyms

Orb2566596 is a chemical substance with the molecular formula C18H22O3 and a molar mass of 286.37 g/mol. Its CAS registry number is 2361497-72-3. The IUPAC name is (3S)-3-[4-(2,3-dimethylbut-2-enoxy)phenyl]hex-4-ynoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S)-3-[4-(2,3-dimethylbut-2-enoxy)phenyl]hex-4-ynoic acid
CAS number
2361497-72-3
Molecular formula
C18H22O3
InChIKey
PZCCCBKQGSMWLD-INIZCTEOSA-N
InChI
InChI=1S/C18H22O3/c1-5-6-16(11-18(19)20)15-7-9-17(10-8-15)21-12-14(4)13(2)3/h7-10,16H,11-12H2,1-4H3,(H,19,20)/t16-/m0/s1
Canonical SMILES
CC#CC(CC(=O)O)c1ccc(OCC(C)=C(C)C)cc1
Isomeric SMILES
CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)OCC(=C(C)C)C

Synonyms

  • (3S)-3-[4-(2,3-dimethylbut-2-enoxy)phenyl]hex-4-ynoic 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
286.37 g/molcalc.
Exact mass
286.1569 Dacalc.
LogP (octanol/water)
4calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
6calc.
Heavy atoms
21calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.39calc.
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, 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.

Orb2566596 suppliers

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Orb2566596 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 Orb2566596 is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb2566596 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2566596, based on the data on this page

What is Orb2566596?

Orb2566596 is a chemical substance with the molecular formula C18H22O3 and a molar mass of 286.37 g/mol. Its CAS registry number is 2361497-72-3. The IUPAC name is (3S)-3-[4-(2,3-dimethylbut-2-enoxy)phenyl]hex-4-ynoic acid.

What is the CAS number of Orb2566596?

The CAS registry number of Orb2566596 is 2361497-72-3.

What is the molecular formula and weight of Orb2566596?

The molecular formula of Orb2566596 is C18H22O3 and its molar mass is 286.37 g/mol.

What is Orb2566596 used for?

Known uses and roles of Orb2566596 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb2566596 hazardous?

No GHS hazard classification for Orb2566596 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 Orb2566596?

Orb2566596 is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2566596?

Post a free request on CompoundList and suppliers of Orb2566596 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2566596?

Suppliers quote Orb2566596 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 Orb2566596

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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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