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Tert-pentyl isothiocyanate, also known as 2-methylbutyl isothiocyanate, is an organic compound with the chemical formula C6H11NS. It is a colorless liquid with a pungent odor and is derived from the reaction of tert-pentyl alcohol with isothiocyanic acid. TERT-PENTYL ISOTHIOCYANATE is primarily used as a flavoring agent and a fragrance component in the food and cosmetics industries, as well as a pesticide in agriculture. It is known for its ability to repel insects and is often used in natural pest control methods. Tert-pentyl isothiocyanate is also a precursor in the synthesis of other organic compounds and has potential applications in the pharmaceutical industry. Due to its strong odor and potential irritant properties, it is important to handle this chemical with care and in accordance with safety guidelines.

597-97-7

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597-97-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 597-97-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,9 and 7 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 597-97:
(5*5)+(4*9)+(3*7)+(2*9)+(1*7)=107
107 % 10 = 7
So 597-97-7 is a valid CAS Registry Number.
InChI:InChI=1/C6H11NS/c1-6(2,3)4-7-5-8/h4H2,1-3H3

597-97-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-isothiocyanato-2-methylbutane

1.2 Other means of identification

Product number -
Other names 1,1-Dimethylpropyl isothiocyanate

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:597-97-7 SDS

597-97-7Relevant academic research and scientific papers

Investigating the influence of steric hindrance on selective anion transport

Jowett, Laura A.,Ricci, Angela,Wu, Xin,Howe, Ethan N.W.,Gale, Philip A.

, (2019)

A series of symmetrical and unsymmetrical alkyl tren based tris-thiourea anion transporters were synthesised and their anion binding and transport properties studied. Overall, increasing the steric bulk of the substituents resulted in improved chloride binding and transport abilities. Including a macrocycle in the scaffold enhanced the selectivity of chloride transport in the presence of fatty acids, by reducing the undesired H+ flux facilitated by fatty acid flip-flop. This study demonstrates the benefit of including enforced steric hindrance and encapsulation in the design of more selective anion receptors.

Microwave-assisted synthesis of alkyl thiocyanates

Bound, D. James,Bettadaiah,Srinivas

, p. 1138 - 1144 (2013/03/28)

Microwave irradiation accelerated the reaction of t-alkyl, allyl, and benzyl halides with Zn(SCN)2 to afford thiocyanates in excellent yields and high selectivity with the formation of isothiocyanates only in minor proportions. Because thiocyanates are stable intermediates to thiols, the method also affords facile access to corresponding thiols.

Ultrasound-assisted nucleophilic substitution reaction of t-Alkyl halides with zinc and titanium thiocyanate

Bettadaiah,Gurudutt,Srinivas

, p. 2293 - 2299 (2007/10/03)

Ultrasound promotes nucleophilic substitution of t-alkyl halides with ambident thiocyanate nucleophile, in the form of its zinc or titanium thiocyanate, under mild conditions to afford the corresponding thiocyanates selectively, in good to excellent yields. This improved synthetic methodology affords a facile access to tertiary thiols via the corresponding thiocyanate intermediates.

A Convenient Synthesis of Tertiary Isothiocyanates and Acyl Isothiocyanates Using Phosphoryl Isothiocyanate.

Kniezo, Ladislav,Bernat, Juraj

, p. 509 - 513 (2007/10/02)

Phosphoryl iosthiocyanate, PO(NCS)3, reacts readily with tertiary alcohols and carboxylic acids, giving the respective tertiary isothiocyanates and acyl isothiocyanates in good yields and purity.

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