Propyl 4-methylbenzenesulfonate

Basic Information

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CAS Number

599-91-7

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

Physical State

No data available

Melting Point

No data available

Boiling Point

156°C/3mmHg

Flash Point

147.8±19.3 °C

Refractive Index

1.5065-1.5085

SMILES

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CCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

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

InChIKey

JTTWNTXHFYNETH-UHFFFAOYSA-N

LogP

2.1103199999999998

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

245

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

F12020
SCHEMBL156710
AMY846
EN300-6740857
A856991
Propyl toluene-4-sulphonate
p-Toluenesulfonic acid n-propyl ester
UNII-G4M5N22X54
SY053183
Z1269122153
CCRIS 9150
p-Toluenesulfonic Acid Propyl Ester
NSC-11005
propyl 4-methylbenzene-1-sulfonate
T0726
propanol tosylate
Propyl p-toluenesulfonate
n-propyl 4-methylbenzenesulfonate
p-Toluolsulfosaurepropylester
InChI=1/C10H14O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H
DS-11707
Propyl 4-methylbenzenesulfonate
AKOS015891378
p-toluene-sulphonic acid-n-propyl ester
MFCD00059244
Propyl tosylate
G4M5N22X54
toluene-4-sulfonic acid propyl ester
CS-0152046
599-91-7
NSC11005

MDL Number

MFCD00059244

FAQ

What regulatory guidelines apply to Propyl 4-methylbenzenesulfonate (CAS: 599-91-7)?

Propyl 4-methylbenzenesulfonate (CAS: 599-91-7) should comply with REACH regulations for registration, evaluation, authorization, and restriction of chemical substances in the European Union. In the United States, it should adhere to FDA and EPA guidelines for chemical safety and environmental protection. Additionally, it must meet GHS (Globally Harmonized System of Classification and Labelling of Chemicals) classification and labelling standards for hazardous materials.

Are there alternatives to Propyl 4-methylbenzenesulfonate (CAS: 599-91-7) in synthesis?

Yes, there are alternatives to Propyl 4-methylbenzenesulfonate in synthesis, such as methyl 4-methylbenzenesulfonate and ethyl 4-methylbenzenesulfonate. These can serve as effective reagents in similar reactions. Other common alternatives include toluene-4-sulfonic acid methyl ester and other aromatic sulfonates.

What is the market or research trend for Propyl 4-methylbenzenesulfonate (CAS: 599-91-7)?

The market for Propyl 4-methylbenzenesulfonate (CAS: 599-91-7) shows steady growth, driven by its use in the pharmaceutical and agrochemical industries. Research trends are focusing on its application in drug synthesis and as a solvent in organic reactions. However, there is a growing emphasis on sustainable and eco-friendly alternatives, which may impact future demand.

How should waste containing Propyl 4-methylbenzenesulfonate (CAS: 599-91-7) be handled?

Waste containing Propyl 4-methylbenzenesulfonate (CAS: 599-91-7) should be collected in sealed, labeled containers and disposed of through professional waste disposal services. Incineration is a common method, but it must be done in compliance with local environmental regulations. Environmental protection precautions include neutralizing any acidic or basic residues before disposal to minimize environmental impact.