n-butyl Benzenesulfonate

Basic Information

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CAS Number

80-44-4

Molecular Formula

C10H14O3S

Molecular Weight

214.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

153°C/7mmHg

Density

1.15

Refractive Index

1.4980-1.5020

SMILES

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CCCCOS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H14O3S/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

InChIKey

NIKBCKTWWPVAIC-UHFFFAOYSA-N

LogP

2.192

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

235

Synonyms & References

English

AKOS024336561
FT-0631359
B0031
J-519969
ButylBenzenesulfonate
Y9VFZ9PM33
butoxysulfonylbenzene
DTXSID1075357
Benzenesulfonic acid, n-butyl ester
Benzenesulfonic acid n-butyl ester
SCHEMBL346204
NSC 3215
SY053759
MFCD00025036
NIKBCKTWWPVAIC-UHFFFAOYSA-
butyl benzene sulfonate
CCRIS 9153
Benzenesulfonic Acid Butyl Ester
NSC-3215
BUTYL BENZENESULFONATE
InChI=1/C10H14O3S/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
CS-W014927
NSC3215
80-44-4
BENZENESULFONICACIDN-BUTYLESTER
LS-13821
NIKBCKTWWPVAIC-UHFFFAOYSA-N
D88592
Benzenesulfonic acid, butyl ester
Benzenesulfonic acid,butyl ester
Butyl Benzenesulfonate

MDL Number

MFCD00025036

FAQ

What regulatory guidelines apply to n-butyl Benzenesulfonate (CAS: 80-44-4)?

n-Butyl Benzenesulfonate (CAS: 80-44-4) is subject to regulatory guidelines under the Globally Harmonized System (GHS) for Classification and Labelling of Chemicals. It falls under the REACH regulations in the European Union, requiring manufacturers and importers to register substances above a certain tonnage. FDA and EPA have specific guidelines for the use and disposal of this compound in the US, ensuring environmental safety and proper handling.

Are there alternatives to n-butyl Benzenesulfonate (CAS: 80-44-4) in synthesis?

There are alternatives to n-butyl Benzenesulfonate (CAS: 80-44-4) in synthesis, such as other sulfonates like p-toluenesulfonate or mesylate. These alternatives offer similar chemical functionalities but may have different reactivity profiles. Researchers often choose based on specific reaction conditions and desired products.

What is the market or research trend for n-butyl Benzenesulfonate (CAS: 80-44-4)?

The market for n-butyl Benzenesulfonate (CAS: 80-44-4) has shown steady demand due to its applications in industries such as pharmaceuticals, dyes, and surfactants. Recent research trends focus on its use as a catalyst in organic synthesis and as a stabilizer in polymer formulations. Market trends indicate increasing demand as new applications are discovered and existing ones are optimized.

How should waste containing n-butyl Benzenesulfonate (CAS: 80-44-4) be handled?

Waste containing n-butyl Benzenesulfonate (CAS: 80-44-4) should be collected in appropriate containers to prevent spillage and contamination. It should be disposed of through professional waste disposal services that comply with local regulations. Environmental precautions include ensuring that the waste is neutralized or treated to minimize environmental impact before disposal. Ingestion or exposure should be avoided by wearing proper protective gear during handling.