3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyra… 104801-96-9

Name: 3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one
Brand: Vaqora Chemicals
SKU: VQ-038788

About 3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one

3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one (CAS 104801-96-9) is a metabolite or degradation product of Orlistat offered by Vaqora Chemicals. With the molecular formula C22H42O3, it has a molar mass of 354.6 g/mol. Its systematic (IUPAC) name is (3S,4S,6R)-3-hexyl-4-hydroxy-6-undecyloxan-2-one. It is also known as Orlistat intermediate.

It is supplied as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. It carries the GHS signal word “Warning” with 3 hazard statements. Review the Safety Data Sheet before use.

Analytical teams use this compound to identify metabolites and degradants of Orlistat, to validate stability-indicating methods (AMV) and to support QC and regulatory filings. It is used across pharmaceutical manufacturing and academic and industrial research.

We offer 3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

Metabolite identification
Stability-indicating methods
Impurity profiling
Fine chemical synthesis

Industries

Related to Orlistat

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

Orlistat impurities

Specifications & identifiers

Chemical identifiers
Product name	3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one
Catalogue No.	VQ-038788
CAS Number	104801-96-9
IUPAC name	(3S,4S,6R)-3-hexyl-4-hydroxy-6-undecyloxan-2-one
Molecular formula	C₂₂H₄₂O₃
Molecular weight	354.6 g/mol
Exact mass	354.3134
Grade	Reference Standard
HSN code	38229090
InChIKey	LRXRIVSWHMVULO-HKBOAZHASA-N
SMILES	CCCCCCCCCCC[C@@H]1C[C@@H]([C@@H](C(=O)O1)CCCCCC)O
PubChem CID	11013671

Physical properties
Physical form	Solid
LogP (XLogP3)	8.3
H-bond donors / acceptors	1 / 3
TPSA	46.5 Å²
Synonyms	(3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyltetrahydro-2H-pyran-2-one, (3S,4S,6R)-3-hexyl-4-hydroxy-6-undecyl-tetrahydropyran-2-one, Orlistat intermediate, (3S,4S,6R)-tetrahydro-3-hexyl-4-hydroxy-6-undecyl-2H-pyran-2-one, (3S, 4S, 6R) tetrahydro-3-hexyl-4-hydroxy-6-undecyl-2H-pyran, (3S, 4S, 6R) tetrahydro-3-hexyl-4-hydroxy-6-undecyl-2H-pyran-2-one, (3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyloxan-2-one (non-preferred name), (3S,4S,6R)-tetrahydro-3-hexyl-4 -hydroxy-6 undecyl-2H-pyran-2-one, (3S,4S,6R)-tetrahydro-3-hexyl-4-hydroxy-6-undecyl-2 H-pyran 2-one

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P271, P280, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, 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 3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one?

The CAS Registry Number of 3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one is 104801-96-9. It is also known as (3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyltetrahydro-2H-pyran-2-one, (3S,4S,6R)-3-hexyl-4-hydroxy-6-undecyl-tetrahydropyran-2-one, Orlistat intermediate.

What is the molecular formula and molecular weight of 3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one?

3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one has the molecular formula C22H42O3 and a molecular weight of 354.6 g/mol. Its IUPAC name is (3S,4S,6R)-3-hexyl-4-hydroxy-6-undecyloxan-2-one.

What is 3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one used for?

3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one is supplied as a characterised reference material related to Orlistat. 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 3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one can I order?

We supply 3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one 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 3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one?

Yes. Every lot of 3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one 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 3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one be shipped internationally?

Yes. 3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one 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.