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Carboxylic acids and anhydrides

Itaconate epoxide

Also known as Oxiraneacetic acid, 2-carboxy-, (2R-cis)-, (2R)-2-(carboxymethyl)oxirane-2-carboxylic acid

CAS 94853-87-9Formula C5H6O5Molar mass 146.10 g/mol
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Itaconate epoxide chemical structure, C5H6O5, CAS 94853-87-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
94853-87-9
Formula
C5H6O5
Molar mass
146.10 g/mol
HS code
291719
Category
Carboxylic acids and anhydrides

What is Itaconate epoxide?

Plain description, key identifiers and synonyms

Itaconate epoxide is a chemical substance with the molecular formula C5H6O5 and a molar mass of 146.10 g/mol. Its CAS registry number is 94853-87-9. The IUPAC name is (2R)-2-(carboxymethyl)oxirane-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-2-(carboxymethyl)oxirane-2-carboxylic acid
CAS number
94853-87-9 CAS number cross-checked
Molecular formula
C5H6O5
InChIKey
KNLVMPWAIDNOQK-RXMQYKEDSA-N
InChI
InChI=1S/C5H6O5/c6-3(7)1-5(2-10-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)/t5-/m1/s1
Canonical SMILES
O=C(O)CC1(C(=O)O)CO1
Isomeric SMILES
C1[C@](O1)(CC(=O)O)C(=O)O

Synonyms

  • Oxiraneacetic acid, 2-carboxy-, (2R-cis)-
  • (2R)-2-(carboxymethyl)oxirane-2-carboxylic 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
146.10 g/molcalc.
Exact mass
146.0215 Dacalc.
LogP (octanol/water)
-0.69calc.
Topological polar surface area
87.13 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
10calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.6calc.
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, C1CO1

C1CO1

1 ring, 3 atoms, the Ethylene oxide ring system.

3,057 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.

Itaconate epoxide suppliers

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Itaconate epoxide 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 Itaconate epoxide is traded under.

HS 2917.19Indicative HS code

Acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…

World exports in 2024
$718M
+8.1% vs 2023, imports $915M
2019 to 2024
Top exporters
  1. China46.6%
  2. United States13.7%
  3. Germany10.1%
Top importers
  1. United States16.2%
  2. Denmark11.8%
  3. Germany10.0%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Itaconate epoxide, based on the data on this page

What is Itaconate epoxide?

Itaconate epoxide is a chemical substance with the molecular formula C5H6O5 and a molar mass of 146.10 g/mol. Its CAS registry number is 94853-87-9. The IUPAC name is (2R)-2-(carboxymethyl)oxirane-2-carboxylic acid.

What is the CAS number of Itaconate epoxide?

The CAS registry number of Itaconate epoxide is 94853-87-9.

What is the molecular formula and weight of Itaconate epoxide?

The molecular formula of Itaconate epoxide is C5H6O5 and its molar mass is 146.10 g/mol.

What is Itaconate epoxide used for?

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

Is Itaconate epoxide hazardous?

No GHS hazard classification for Itaconate epoxide 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 Itaconate epoxide?

Itaconate epoxide is usually classified under HS code 291719 (Acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Itaconate epoxide?

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What is the price of Itaconate epoxide?

Suppliers quote Itaconate epoxide 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 Itaconate epoxide

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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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