(2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5… 3012-76-8

About (2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid

(2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid is an impurity of Isotretinoin carrying the CAS registry number 3012-76-8. With the molecular formula C20H28O3, it has a molar mass of 316.4 g/mol. Its systematic (IUPAC) name is (2E,4E,6E)-7-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylocta-2,4,6-trienoic acid. It is also known as 5,8-Monoepoxyretinoic acid or 5,8-Epoxytretinoin.

The product is provided as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. Good laboratory practice and suitable PPE are recommended during handling.

This Isotretinoin impurity supports analytical method development and validation (AMV), batch release testing and the impurity sections of ANDA and DMF filings. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

We offer (2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Isotretinoin

View every impurity, metabolite and intermediate we list for Isotretinoin.

Isotretinoin impurities

Specifications & identifiers

Chemical identifiers
Product name	(2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid
Catalogue No.	VQ-031291
CAS Number	3012-76-8
IUPAC name	(2E,4E,6E)-7-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylocta-2,4,6-trienoic acid
Molecular formula	C₂₀H₂₈O₃
Molecular weight	316.4 g/mol
Exact mass	316.2038
Grade	Reference Standard
HSN code	38229090
InChIKey	QDOSIDVGVRAXSE-JUPVTLSTSA-N
SMILES	C/C(=C\C(=O)O)/C=C/C=C(\C)/C1C=C2C(CCCC2(O1)C)(C)C
PubChem CID	5364256

Physical properties
Physical form	Solid
LogP (XLogP3)	4.8
H-bond donors / acceptors	1 / 3
TPSA	46.5 Å²
Synonyms	5,8-Monoepoxyretinoic acid, 5,8-Epoxytretinoin, Retinoic acid, 5,8-epoxy-5,8-dihydro-, all-trans 5,8-Epoxy Retinoic Acid, 5,8-Epoxy-all-trans-Retinoic Acid(Mixture of Diastereomers)

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of (2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid?

The CAS Registry Number of (2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid is 3012-76-8. It is also known as 5,8-Monoepoxyretinoic acid, 5,8-Epoxytretinoin, Retinoic acid, 5,8-epoxy-5,8-dihydro-.

What is the molecular formula and molecular weight of (2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid?

(2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid has the molecular formula C20H28O3 and a molecular weight of 316.4 g/mol. Its IUPAC name is (2E,4E,6E)-7-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylocta-2,4,6-trienoic acid.

What is (2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid used for?

(2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid is supplied as a characterised reference material related to Isotretinoin. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of (2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid can I order?

We supply (2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with (2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid?

Yes. Every lot of (2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can (2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid be shipped internationally?

Yes. We export (2E,4E,6E)-3-Methyl-7-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)octa-2,4,6-trienoic acid worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.