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p-Cymene-2-sulfonic acid, also known as 2-sulfo-1,3,3-trimethyl-2-norbornanone, is an organic compound derived from p-cymene, a monoterpene found in essential oils. It is a colorless, crystalline solid with the molecular formula C10H16SO3 and a molecular weight of 216.29 g/mol. This chemical is characterized by its unique structure, featuring a sulfonic acid group attached to the 2-position of the norbornane ring, which is a bicyclic structure consisting of a cyclohexane and a cyclopropane ring. p-Cymene-2-sulfonic acid is used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals due to its versatile chemical properties and reactivity. It is typically produced through the sulfonation of p-cymene, followed by oxidation to form the sulfonic acid. The compound's solubility in water and its ability to form salts make it a valuable building block in the chemical industry.

96-71-9

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96-71-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 96-71-9 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 9 and 6 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 96-71:
(4*9)+(3*6)+(2*7)+(1*1)=69
69 % 10 = 9
So 96-71-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H14O3S/c1-7(2)9-5-4-8(3)10(6-9)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)

96-71-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-methyl-5-propan-2-ylbenzenesulfonic acid

1.2 Other means of identification

Product number -
Other names p-cyneme-2-sulphonic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:96-71-9 SDS

96-71-9Upstream product

96-71-9Relevant academic research and scientific papers

P-Cymenesulphonic acid: An organic acid synthesised from citrus waste

Clark, James H.,Fitzpatrick, Emma M.,MacQuarrie, Duncan J.,Pfaltzgraff, Lucie A.,Sherwood, James

experimental part, p. 144 - 149 (2012/09/07)

An organic acid, p-cymene-2-sulphonic acid, is synthesised from citrus waste and demonstrated to be comparable to p-toluenesulphonic acid in examples of acid catalysis. Firstly the essential oil found in citrus waste is extracted by either steam distillation or microwave irradiation. Oxidising the limonene in the citrus oil to p-cymene followed by sulphonation gives p-cymene-2-sulphonic acid.

Mass Spectral Studies of Alkylbenzenesulphonic Acids Through Their S-Benzylisothiouronium Salts

Borthakur, Arun,Rao, V. S. Bhaskar

, p. 48 - 54 (2007/10/02)

The mass spectra of alkylbenzenesulphonic acids in the form of their S-benzylisothiouronium salts have been studied.These S-benzylisothiouronium salts dissociated into two parent reactant ions: (i) alkylbenzenesulphonic acid and (ii) S-benzylisothiourea.The characteristic fragmentation patterns of alkylbenzenesulphonic acids (0-5 substituted alkyls) were studied and compared with those of the parent ion peak hydrocarbons.The intensity of the molecular decreased with the increase in the molecular weight of the sulphonic acids.Desulphonation as well as loss of the alkyl group was observed in all the spectra.Migration of the alkyl group from S to 0, followed by degradation, was also observed in all the spectra studied.

SOLUBILITY OF TOLUENE IN AQUEOUS SODIUM ALKYLBENZENESULFONATE SOLUTIONS.

Ho,Ho,Kraus

, p. 115 - 118,116, 117 (2007/10/05)

The solubility of toluene in aqueous solutions of nine substituted sodium benzenesulfonates with short side chains was determined at 25 and 55 degree C using gas chromatography for the analysis of the saturated solutions. Tenax GC, which is used mostly for the separation of high boiling polar compounds, was found suitable for the analysis of aqueous solutions of toluene, a nonpolar, lower boiling compound. The solubility of toluene generally increases with sulfonate concentration except for the lowest members of the series (benzene- and toluenesulfonate) where a slight decrease in solubility (salting out) occurs at low concentrations. Toluene solubility in the aqueous phase generally increases with the number of alkyl carbons on the benzene ring. This work is relevant to oil recovery.

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