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Aromatic building blocks

Phomopsin C

Also known as ethyl 2-(3-hydroxy-5-methoxy-2-octanoylphenyl)acetate, 4'-O-Methylcytosporone B, Ethyl 2-(3-hydroxy-5-methoxy-2-octanoylphenyl)acetic acid

CAS 121128-31-2Formula C19H28O5Molar mass 336.43 g/mol
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Phomopsin C chemical structure, C19H28O5, CAS 121128-31-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
121128-31-2
Formula
C19H28O5
Molar mass
336.43 g/mol
HS code
291899
Category
Aromatic building blocks

What is Phomopsin C?

Plain description, key identifiers and synonyms

Phomopsin C is an aromatic ketone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
ethyl 2-(3-hydroxy-5-methoxy-2-octanoylphenyl)acetate
CAS number
121128-31-2
Molecular formula
C19H28O5
InChIKey
FXFDGQFKQWWWJW-UHFFFAOYSA-N
InChI
InChI=1S/C19H28O5/c1-4-6-7-8-9-10-16(20)19-14(12-18(22)24-5-2)11-15(23-3)13-17(19)21/h11,13,21H,4-10,12H2,1-3H3
SMILES (canonical and isomeric)
CCCCCCCC(=O)C1=C(C=C(C=C1O)OC)CC(=O)OCC

Synonyms

  • ethyl 2-(3-hydroxy-5-methoxy-2-octanoylphenyl)acetate
  • 4'-O-Methylcytosporone B
  • Ethyl 2-(3-hydroxy-5-methoxy-2-octanoylphenyl)acetic 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
336.43 g/molcalc.
Exact mass
336.1937 Dacalc.
LogP (octanol/water)
4.05calc.
Topological polar surface area
72.83 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
11calc.
Heavy atoms
24calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.58calc.
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.

Phomopsin C suppliers

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

Frequently asked questions

Quick answers about Phomopsin C, based on the data on this page

What is Phomopsin C?

Phomopsin C is an aromatic ketone.

What is the CAS number of Phomopsin C?

The CAS registry number of Phomopsin C is 121128-31-2.

What is the molecular formula and weight of Phomopsin C?

The molecular formula of Phomopsin C is C19H28O5 and its molar mass is 336.43 g/mol.

What is Phomopsin C used for?

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

Is Phomopsin C hazardous?

No GHS hazard classification for Phomopsin C 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 Phomopsin C?

Phomopsin C 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 Phomopsin C?

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

What is the price of Phomopsin C?

Suppliers quote Phomopsin C 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 Phomopsin C

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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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