(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-… 104872-06-2

Name: (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone
Brand: Vaqora Chemicals
SKU: VQ-023343

About (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone

Listed under CAS 104872-06-2, (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone is a metabolite or degradation product of Orlistat available from Vaqora Chemicals. Its molecular formula is C22H42O3 and its molecular weight is 354.6 g/mol. Systematically, it is named (3S,4S)-3-hexyl-4-[(2R)-2-hydroxytridecyl]oxetan-2-one.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

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. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Metabolite identification
Stability-indicating methods
Impurity profiling

Industries

Related to Orlistat

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

Orlistat impurities

Specifications & identifiers

Chemical identifiers
Product name	(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone
Catalogue No.	VQ-023343
CAS Number	104872-06-2
IUPAC name	(3S,4S)-3-hexyl-4-[(2R)-2-hydroxytridecyl]oxetan-2-one
Molecular formula	C₂₂H₄₂O₃
Molecular weight	354.6 g/mol
Exact mass	354.3134
Grade	Reference Standard
HSN code	38229090
InChIKey	RSOUWOFYULUWNE-HKBOAZHASA-N
SMILES	CCCCCCCCCCC[C@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)O
PubChem CID	10428248

Physical properties
Physical form	Solid
LogP (XLogP3)	8.3
H-bond donors / acceptors	1 / 3
TPSA	46.5 Å²
Synonyms	(3S,4S)-3-Hexyl-4-((R)-2-hydroxytridecyl)-2-oxetanone, 3-Hexyl-4-((R)-2-hydroxytridecyl)-2-oxetanone, (3S,4S)-, 2-Oxetanone, 3-hexyl-4-((2R)-2-hydroxytridecyl)-, (3S,4S)-, (3S,4S)-3-hexyl-4-[(R)-2-hydroxytridecyl]-2-oxetanone, (3S,4S)-3-Hexyl-4-((R)-2-hydroxytridecyl)oxetan-2-one, (2R,3S,4S)-3-Hexyl-4-(2-hydroxy-tridecyl)-oxetan-2-one, (3S,4S)-3-hexyl-4-((R)-2-hydroxy tridecyl)-2-oxetanone

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 (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone?

The CAS Registry Number of (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone is 104872-06-2. It is also known as (3S,4S)-3-Hexyl-4-((R)-2-hydroxytridecyl)-2-oxetanone, 3-Hexyl-4-((R)-2-hydroxytridecyl)-2-oxetanone, (3S,4S)-, 2-Oxetanone, 3-hexyl-4-((2R)-2-hydroxytridecyl)-, (3S,4S)-.

What is the molecular formula and molecular weight of (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone?

(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone has the molecular formula C22H42O3 and a molecular weight of 354.6 g/mol. Its IUPAC name is (3S,4S)-3-hexyl-4-[(2R)-2-hydroxytridecyl]oxetan-2-one.

What is (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone used for?

(3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone 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 (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone can I order?

We supply (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone 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 (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone?

Yes. Every lot of (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone 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 (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone be shipped internationally?

Yes. (3S,4S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone 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.