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Butyl p-Toluenesulfonate - >97.0%(GC), high purity , CAS No.778-28-9

COA

Grade & Purity:

≥97%(GC)

Cas Number: 778-28-9
Molecular Weight: 228.31
Beilstein Registry Number: 11(3)189
MDL number: MFCD00027203
PubChem CID: 13066
PubChem SID: 488181785

In stock

Item Number

B152404

Grouped product items
SKU	Size	Availability	Price
B152404-5ml	5ml	5	$9.90
B152404-25ml	25ml	4	$30.90
B152404-100ml	100ml	2	$109.90
B152404-500ml	500ml	1	$305.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	4-methyl-benzenesulfonic acid butyl ester \| AKOS009028850 \| FT-0632944 \| WLN: 4OSWR D1 \| Butyl tosylate \| 00XW1Q3QO1 \| Butyl toluene-4-sulphonate \| Butyl para-toluenesulfonate \| n-butyl tosylate \| EINECS 212-295-5 \| butyl 4-methylbenzene-1-sulfonate \| But
Specifications & Purity	≥97%(GC)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonate esters
Alternative Parents	p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488181785
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181785
IUPAC Name	butyl 4-methylbenzenesulfonate
INCHI	InChI=1S/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey	QYJXDIUNDMRLAO-UHFFFAOYSA-N
Smiles	CCCCOS(=O)(=O)C1=CC=C(C=C1)C
Isomeric SMILES	CCCCOS(=O)(=O)C1=CC=C(C=C1)C
RTECS	XT6400000
Molecular Weight	228.31
Beilstein	11(3)189
Reaxy-Rn	1428508
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1428508&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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11 results found

Lot Number	Certificate Type	Date	Item
G2109054	Certificate of Analysis	Apr 08, 2025	B152404
C2119079	Certificate of Analysis	Jan 09, 2025	B152404
L2413229	Certificate of Analysis	Dec 20, 2024	B152404
G1908168	Certificate of Analysis	May 06, 2023	B152404
E2218054	Certificate of Analysis	Mar 14, 2022	B152404
E2218051	Certificate of Analysis	Mar 14, 2022	B152404
E2218094	Certificate of Analysis	Mar 14, 2022	B152404
E2218114	Certificate of Analysis	Mar 14, 2022	B152404
E2330037	Certificate of Analysis	Mar 14, 2022	B152404
L2413228	Certificate of Analysis	Mar 14, 2022	B152404
E2330047	Certificate of Analysis	Mar 14, 2022	B152404

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Chemical and Physical Properties

Solubility	Chloroform (Slightly), DMSO (Sparingly)
Sensitivity	Moisture sensitive.
Refractive Index	1.50
Boil Point(°C)	172°C/10mmHg
Molecular Weight	228.310 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	228.082 Da
Monoisotopic Mass	228.082 Da
Topological Polar Surface Area	51.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	258.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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