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Aromatic building blocks

Asarumin A

Also known as ((2S,3S)-3-hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate, Methyl 3-benzoyloxy-2-hydroxy-2-isopropylbutyrate, (2S,3S)-3-Hydroxy-3-(methoxycarbonyl)-4-methylpentan-2-yl benzoate

CAS 126518-75-0Formula C15H20O5Molar mass 280.32 g/mol
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Asarumin A chemical structure, C15H20O5, CAS 126518-75-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
126518-75-0
Formula
C15H20O5
Molar mass
280.32 g/mol
HS code
291819
Category
Aromatic building blocks

What is Asarumin A?

Plain description, key identifiers and synonyms

Asarumin A is a chemical substance with the molecular formula C15H20O5 and a molar mass of 280.32 g/mol. Its CAS registry number is 126518-75-0. The IUPAC name is [(2S,3S)-3-hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl] benzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,3S)-3-hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl] benzoate
CAS number
126518-75-0 CAS number cross-checked
Molecular formula
C15H20O5
InChIKey
GKQJMUAJFMIWIU-NHYWBVRUSA-N
InChI
InChI=1S/C15H20O5/c1-10(2)15(18,14(17)19-4)11(3)20-13(16)12-8-6-5-7-9-12/h5-11,18H,1-4H3/t11-,15-/m0/s1
Canonical SMILES
COC(=O)C(O)(C(C)C)C(C)OC(=O)c1ccccc1
Isomeric SMILES
C[C@@H]([C@@](C(C)C)(C(=O)OC)O)OC(=O)C1=CC=CC=C1

Synonyms

  • ((2S,3S)-3-hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate
  • Methyl 3-benzoyloxy-2-hydroxy-2-isopropylbutyrate
  • (2S,3S)-3-Hydroxy-3-(methoxycarbonyl)-4-methylpentan-2-yl benzoate

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
280.32 g/molcalc.
Exact mass
280.1311 Dacalc.
LogP (octanol/water)
1.79calc.
Topological polar surface area
72.83 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
20calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.47calc.
Formal charge
0calc.
Stereocentres
2calc.
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.

Asarumin A suppliers

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Asarumin A 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 Asarumin A is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Asarumin A, based on the data on this page

What is Asarumin A?

Asarumin A is a chemical substance with the molecular formula C15H20O5 and a molar mass of 280.32 g/mol. Its CAS registry number is 126518-75-0. The IUPAC name is [(2S,3S)-3-hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl] benzoate.

What is the CAS number of Asarumin A?

The CAS registry number of Asarumin A is 126518-75-0.

What is the molecular formula and weight of Asarumin A?

The molecular formula of Asarumin A is C15H20O5 and its molar mass is 280.32 g/mol.

What is Asarumin A used for?

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

Is Asarumin A hazardous?

No GHS hazard classification for Asarumin A 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 Asarumin A?

Asarumin A is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Asarumin A?

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

What is the price of Asarumin A?

Suppliers quote Asarumin A 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 Asarumin A

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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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