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Aldehydes and ketones

Botrytinone

Also known as (4R,5S)-4,5-dihydroxy-3-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one, (4R,5S)-4,5-dihydroxy-3-((1R)-1-hydroxyethyl)cyclopent-2-en-1-one

CAS 929276-08-4Formula C7H10O4Molar mass 158.15 g/mol
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Botrytinone chemical structure, C7H10O4, CAS 929276-08-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
929276-08-4
Formula
C7H10O4
Molar mass
158.15 g/mol
HS code
291440
Category
Aldehydes and ketones

What is Botrytinone?

Plain description, key identifiers and synonyms

Botrytinone is a secondary alcohol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R,5S)-4,5-dihydroxy-3-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one
CAS number
929276-08-4
Molecular formula
C7H10O4
InChIKey
JYDDAHDSJLLHSV-YLGFNEOPSA-N
InChI
InChI=1S/C7H10O4/c1-3(8)4-2-5(9)7(11)6(4)10/h2-3,6-8,10-11H,1H3/t3-,6-,7-/m1/s1
Canonical SMILES
CC(O)C1=CC(=O)C(O)C1O
Isomeric SMILES
C[C@H](C1=CC(=O)[C@H]([C@@H]1O)O)O

Synonyms

  • (4R,5S)-4,5-dihydroxy-3-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one
  • (4R,5S)-4,5-dihydroxy-3-((1R)-1-hydroxyethyl)cyclopent-2-en-1-one

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
158.15 g/molcalc.
Exact mass
158.0579 Dacalc.
LogP (octanol/water)
-1.4calc.
Topological polar surface area
77.76 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.57calc.
Formal charge
0calc.
Stereocentres
3calc.
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, O=C1C=CCC1

O=C1C=CCC1

1 ring, 6 atoms, the 2-Cyclopenten-1-one ring system.

829 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.

Botrytinone suppliers

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Botrytinone 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 Botrytinone is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Botrytinone?

Botrytinone is a secondary alcohol.

What is the CAS number of Botrytinone?

The CAS registry number of Botrytinone is 929276-08-4.

What is the molecular formula and weight of Botrytinone?

The molecular formula of Botrytinone is C7H10O4 and its molar mass is 158.15 g/mol.

What is Botrytinone used for?

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

Is Botrytinone hazardous?

No GHS hazard classification for Botrytinone 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 Botrytinone?

Botrytinone is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Botrytinone?

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

What is the price of Botrytinone?

Suppliers quote Botrytinone 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 Botrytinone

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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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