3-Hydroxy-2,2-dimethylpropyl 4-methylbenzenes… 21651-04-7

Name: 3-Hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate
Brand: Vaqora Chemicals
SKU: VQ-051553

About 3-Hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate

Listed under CAS 21651-04-7, 3-Hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate is a metabolite / degradant standard available from Vaqora Chemicals. Its molecular formula is C12H18O4S and its molecular weight is 258.34 g/mol. Alternative names: 2,2-dimethyl-3-tosyloxypropanol.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. It carries the GHS signal word “Warning” with 5 hazard statements. Review the Safety Data Sheet before use.

It is used in metabolite identification, stability-indicating method development and impurity profiling, as well as in QC testing and ANDA/DMF documentation. It is used across 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

Specifications & identifiers

Chemical identifiers
Product name	3-Hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate
Catalogue No.	VQ-051553
CAS Number	21651-04-7
IUPAC name	(3-hydroxy-2,2-dimethylpropyl) 4-methylbenzenesulfonate
Molecular formula	C₁₂H₁₈O₄S
Molecular weight	258.34 g/mol
Exact mass	258.0926
Grade	Reference Standard
HSN code	38229090
InChIKey	GLIAEEACYRUJKS-UHFFFAOYSA-N
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)CO
PubChem CID	561888

Physical properties
Physical form	Solid
LogP (XLogP3)	1.9
H-bond donors / acceptors	1 / 4
TPSA	72 Å²
Synonyms	2,2-dimethyl-3-[(4-methylbenzenesulfonyl)oxy]propan-1-ol, 2,2-Dimethyl-3-((4-methylbenzenesulfonyl)oxy)propan-1-ol, 2,2-dimethyl-3-tosyloxypropanol, 2,2-Dimethyl-3-(P-Toluenesulfonyloxy)-1-Propanol, p-Toluenesulfonic acid, 2,2-dimethyl-3-hydroxypropyl ester

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed
H312Harmful in contact with skin
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P317, P319, P321, P330, 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-Hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate?

The CAS Registry Number of 3-Hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate is 21651-04-7. It is also known as 2,2-dimethyl-3-[(4-methylbenzenesulfonyl)oxy]propan-1-ol, 2,2-Dimethyl-3-((4-methylbenzenesulfonyl)oxy)propan-1-ol, 2,2-dimethyl-3-tosyloxypropanol.

What is the molecular formula and molecular weight of 3-Hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate?

3-Hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate has the molecular formula C12H18O4S and a molecular weight of 258.34 g/mol. Its IUPAC name is (3-hydroxy-2,2-dimethylpropyl) 4-methylbenzenesulfonate.

Which grade and pack sizes of 3-Hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate can I order?

We supply 3-Hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate 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-Hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate?

Yes. Every lot of 3-Hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate 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-Hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate be shipped internationally?

Yes. 3-Hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate 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.