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3-(Octylthio)propionic acid is an organic compound with the chemical formula C11H20O2S. It is a colorless liquid with a molecular weight of 212.34 g/mol. 3-(octylthio)propionic acid is characterized by the presence of an octylthio group (an octyl chain attached to a sulfur atom) and a propionic acid group (a three-carbon chain ending with a carboxyl group). It is used in various applications, such as in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals. Due to its unique structure, 3-(octylthio)propionic acid exhibits specific chemical properties, making it a valuable intermediate in the chemical industry.

6964-23-4

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6964-23-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6964-23-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,6 and 4 respectively; the second part has 2 digits, 2 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 6964-23:
(6*6)+(5*9)+(4*6)+(3*4)+(2*2)+(1*3)=124
124 % 10 = 4
So 6964-23-4 is a valid CAS Registry Number.
InChI:InChI=1/C11H22O2S/c1-2-3-4-5-6-7-9-14-10-8-11(12)13/h2-10H2,1H3,(H,12,13)

6964-23-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-octylsulfanylpropanoic acid

1.2 Other means of identification

Product number -
Other names 3-octylmercapto-propionic 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:6964-23-4 SDS

6964-23-4Relevant academic research and scientific papers

Sensitive and selective method and device for the detection of trace amounts of a substance

-

Page/Page column 11, (2010/11/27)

A piezoelectric crystal element and a sensor utilizing the same are presented for use in a sensor device for identifying at least one foreign material from environment. The crystal element comprises at least one crystal resonator in the form of a inverted mesa structure, which has a membrane-like region and has a certain resonance frequency value. A surface region of the crystal resonator is modified by reactive molecules of a kind capable of interacting with the foreign material to yield a reaction product that effects a change in the resonance frequency of the crystal resonator from said certain resonance frequency value. This change is indicative of the identity and quantity of the foreign material.

1H and 13C N.M.R. Studies on the Positional Isomers of Methyl Thialaurate and Methyl Thiastearate

Jie, Marcel S. F. Lie Ken,Bakare, Oladapo

, p. 2121 - 2126 (2007/10/02)

1H N.m.r. analysis of methyl thialaurate and methyl thiastearate shows that the sulphur atom in the alkyl chain has a significant deshilding effect (α-effect) on the chemical shift of the protons of the adjacent methylene and methyl groups, and also on the methyl protons of the methoxycarbonyl (ester) function.It was possible to identify seven of the positional isomers in each series by examining the chemical shifts and the splitting pattern of the signals in the 1H n.m.r. spectra of these fatty acid ester analogues.The 13C n.m.r. results showed that this S atom has an interesting effect (α-, β-, and γ-effect) on the chemical shift of the carbonyl carbon atom of the methoxycarbonyl (ester) function: the sulphur atom exerts a significant shilding effect in the case of the 2-, 3-, and 4-thia isomers.In the remaining isomers the sulphur atom causes a strong deshilding effect on the methylene or methyl carbon atoms on either side of the sulphide linkage.These results permitted all positional isomers of methyl thialaurate to be identified by this technique, while 10 out of the 16 positional isomers of methyl thiastearate could be characterized.

S,S-Dialkyl Dithiocarbonates as a Convenient Source of Alkanethiols: an Improved Synthesis of Alkylthiocarboxylic Acids

Cadamuro, Silvano,Degani, Iacopo,Fochi, Rita,Regondi, Valeria

, p. 1070 - 1074 (2007/10/02)

A wide variety of β-alkylthiocarboxylic acids are obtained by addition of alkanethiols - generated in situ from S,S-dialkyl dithiocarbonates - to appropriate α,β-unsaturated carboxylic acids in good to excellent yields.

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