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Aliphatic and alicyclic building blocks

(+/-)11(12)-EET methyl ester

CAS 90693-45-1Formula C21H34O3Molar mass 334.50 g/mol
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(+/-)11(12)-EET methyl ester chemical structure, C21H34O3, CAS 90693-45-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
90693-45-1
Formula
C21H34O3
Molar mass
334.50 g/mol
HS code
291619
Category
Aliphatic and alicyclic building blocks

What is (+/-)11(12)-EET methyl ester?

Plain description, key identifiers and synonyms

(+/-)11(12)-EET methyl ester is a chemical substance with the molecular formula C21H34O3 and a molar mass of 334.50 g/mol. Its CAS registry number is 90693-45-1. The IUPAC name is methyl (5Z,8Z)-10-[(2S,3R)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (5Z,8Z)-10-[(2S,3R)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoate
CAS number
90693-45-1
Molecular formula
C21H34O3
InChIKey
DHUPCTVGLDZJCY-AFRPMPIESA-N
InChI
InChI=1S/C21H34O3/c1-3-4-5-6-10-13-16-19-20(24-19)17-14-11-8-7-9-12-15-18-21(22)23-2/h7,9-11,13-14,19-20H,3-6,8,12,15-18H2,1-2H3/b9-7-,13-10-,14-11-/t19-,20+/m1/s1
Canonical SMILES
CCCCCC=CCC1OC1CC=CCC=CCCCC(=O)OC
Isomeric SMILES
CCCCC/C=C\C[C@@H]1[C@@H](O1)C/C=C\C/C=C\CCCC(=O)OC

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
334.50 g/molcalc.
Exact mass
334.2508 Dacalc.
LogP (octanol/water)
5.52calc.
Topological polar surface area
38.83 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
14calc.
Heavy atoms
24calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (1 violation)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.

(+/-)11(12)-EET methyl ester suppliers

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(+/-)11(12)-EET methyl ester 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 (+/-)11(12)-EET methyl ester is traded under.

HS 2916.19Indicative HS code

Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…

World exports in 2024
$674M
−9.6% vs 2023, imports $722M
2019 to 2024
Top exporters
  1. China44.5%
  2. Germany15.3%
  3. India * partner reported11.5%
Top importers
  1. United States17.1%
  2. Netherlands7.8%
  3. South Korea7.0%

* Partner reported figures, a lower bound.

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

The HS code shown for (+/-)11(12)-EET methyl ester is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about (+/-)11(12)-EET methyl ester, based on the data on this page

What is (+/-)11(12)-EET methyl ester?

(+/-)11(12)-EET methyl ester is a chemical substance with the molecular formula C21H34O3 and a molar mass of 334.50 g/mol. Its CAS registry number is 90693-45-1. The IUPAC name is methyl (5Z,8Z)-10-[(2S,3R)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoate.

What is the CAS number of (+/-)11(12)-EET methyl ester?

The CAS registry number of (+/-)11(12)-EET methyl ester is 90693-45-1.

What is the molecular formula and weight of (+/-)11(12)-EET methyl ester?

The molecular formula of (+/-)11(12)-EET methyl ester is C21H34O3 and its molar mass is 334.50 g/mol.

What is (+/-)11(12)-EET methyl ester used for?

Known uses and roles of (+/-)11(12)-EET methyl ester include building blocks in research and laboratory.

Is (+/-)11(12)-EET methyl ester hazardous?

No GHS hazard classification for (+/-)11(12)-EET methyl ester 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 (+/-)11(12)-EET methyl ester?

(+/-)11(12)-EET methyl ester is usually classified under HS code 291619 (Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy (+/-)11(12)-EET methyl ester?

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What is the price of (+/-)11(12)-EET methyl ester?

Suppliers quote (+/-)11(12)-EET methyl ester 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 (+/-)11(12)-EET methyl ester

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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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