Acetylvalerenolic acid

About Acetylvalerenolic acid

Acetylvalerenolic acid is an impurity of Valerenic Acid carrying the CAS registry number 81397-67-3. Its molecular formula is C17H24O4 and its molecular weight is 292.4 g/mol. Its systematic (IUPAC) name is (E)-3-(1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid.

The product is provided as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

Pharmaceutical QC and development laboratories use this impurity standard of Valerenic Acid to develop and validate HPLC methods, to set specification limits and to document impurity profiles in ANDA and DMF submissions. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, Acetylvalerenolic acid is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

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

Industries

Related to Valerenic Acid

View every impurity, metabolite and intermediate we list for Valerenic Acid.

Valerenic Acid impurities

Specifications & identifiers

Chemical identifiers
Product name	Acetylvalerenolic acid
Catalogue No.	VQ-042794
CAS Number	81397-67-3
IUPAC name	(E)-3-(1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid
Molecular formula	C₁₇H₂₄O₄
Molecular weight	292.4 g/mol
Exact mass	292.1675
Grade	Reference Standard
HSN code	38229090
InChIKey	VBBXZFLAYWAXSK-YRNVUSSQSA-N
SMILES	CC1CCC(C2=C(CC(C12)OC(=O)C)C)/C=C(\C)/C(=O)O
PubChem CID	6439585

Physical properties
Physical form	Solid
LogP (XLogP3)	2.7
H-bond donors / acceptors	1 / 4
TPSA	63.6 Å²

Safety & hazard information (GHS)

Environmental hazard

Signal word: Warning

Hazard statements

H400Very toxic to aquatic life
H410Very toxic to aquatic life with long lasting effects

Precautionary statements: P273, P391, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

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 Acetylvalerenolic acid?

The CAS Registry Number of Acetylvalerenolic acid is 81397-67-3. It is also known as Acetoxyvalerenic acid - Valeriana officinalis (common valerian).

What is the molecular formula and molecular weight of Acetylvalerenolic acid?

Acetylvalerenolic acid has the molecular formula C17H24O4 and a molecular weight of 292.4 g/mol. Its IUPAC name is (E)-3-(1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid.

What is Acetylvalerenolic acid used for?

Acetylvalerenolic acid is supplied as a characterised reference material related to Valerenic Acid. 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 Acetylvalerenolic acid can I order?

We supply Acetylvalerenolic 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 Acetylvalerenolic acid?

Yes. Every lot of Acetylvalerenolic 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 Acetylvalerenolic acid be shipped internationally?

Yes. Acetylvalerenolic acid is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.