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5827-80-5

3-Ethylpentane-3-thiol is an organic compound with the molecular formula C7H16S. It is a colorless liquid with a strong, pungent odor, and it is insoluble in water but soluble in organic solvents. This thiol is a derivative of 3-pentanethiol, featuring an additional ethyl group attached to the third carbon atom. It is used as a synthetic intermediate in the production of various chemicals, including pharmaceuticals, agrochemicals, and fragrances. Due to its reactivity, 3-ethylpentane-3-thiol can undergo various chemical reactions, such as oxidation, substitution, and addition reactions. It is also known for its potential use as a flavoring agent in the food industry, contributing to the aroma of certain foods.

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  • 5827-80-5 Structure

  • Basic information

    1. Product Name: 3-ethylpentane-3-thiol
    2. Synonyms: 3-ethylpentane-3-thiol;Einecs 227-404-1
    3. CAS NO:5827-80-5
    4. Molecular Formula: C7H16S
    5. Molecular Weight: 132.26694
    6. EINECS: 227-404-1
    7. Product Categories: N/A
    8. Mol File: 5827-80-5.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 149.3°Cat760mmHg
    3. Flash Point: 34.1°C
    4. Appearance: /
    5. Density: 0.836g/cm3
    6. Vapor Pressure: 5.15mmHg at 25°C
    7. Refractive Index: 1.447
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-ethylpentane-3-thiol(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-ethylpentane-3-thiol(5827-80-5)
    12. EPA Substance Registry System: 3-ethylpentane-3-thiol(5827-80-5)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 5827-80-5(Hazardous Substances Data)

5827-80-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5827-80-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,8,2 and 7 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 5827-80:
(6*5)+(5*8)+(4*2)+(3*7)+(2*8)+(1*0)=115
115 % 10 = 5
So 5827-80-5 is a valid CAS Registry Number.
InChI:InChI=1/C7H16S/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3

5827-80-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-ethylpentane-3-thiol

1.2 Other means of identification

Product number -
Other names Triethylthiocarbinol

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:5827-80-5 SDS

5827-80-5Relevant articles and documents

Functionalized nanodiamonds part 3: Thiolation of tertiary/bridgehead alcohols

Tkachenko, Boryslav A.,Fokina, Natalie A.,Chernish, Lesya V.,Dahl, Jeremy E. P.,Liu, Shenggao,Carlson, Robert M. K.,Fokin, Andrey A.,Schreiner, Peter R.

, p. 1767 - 1770 (2006)

Treatment of acyclic as well as polycyclic tertiary mono- and dihydroxy hydrocarbon derivatives with thiourea in the presence of hydrobromic and acetic acid represents a convenient one-step route to the respective tertiary thiols and dithiols. This procedure was used for the preparation of diamondoid thiols of diamantane, triamantane, [121]tetramantane, and others that are prospective nanoelectronic materials.

The Conformational Behaviour of 10-Substituted Spirodecanes

Wolff, J. Jens,Frenking, Gernot,Harms, Klaus

, p. 551 - 561 (2007/10/02)

The conformational behaviour of 10-X-substituted 1,4-dioxa- and 1,4,6-trioxaspirodecanes 1-4 has been studied by 13C-, 19F- and 1H-NMR spectroscopy.Two X-ray analyses of (2a,e) are presented, and their implications to cleavage reactions of chiral acetals are discussed.Participation of twist boat forms in the conformeric equilibrium of at least 1c has been made plausible by observing 13C, 19F-NMR coupling constants.The ratios of axial to equatorial conformers in 1-4 have been calculated by molecular mechanics.

The Invention of New Radical Chain Reactions. Part 11. A New Method for the Generation of Tertiary Radicals from Tertiary Alcohols

Barton, Derek H. R.,Crich, David

, p. 1603 - 1612 (2007/10/02)

A convenient procedure for the radical deoxygenation of tertiary alcohols has been invented using the double half esters of oxalic acid with the t-alcohol and N-hydroxypyridine-2-thione.Decomposition of this type of ester in the presence of 1,1-dimethylethane- or (better) 1,1-diethylpropane-thiol gave the corresponding hydrocarbons in good yield.It has been shown that the oxalate fragmentation is not concerted, but involves a stepwise loss of carbon dioxide.Tertiary alcohols are also a convenient source of radicals for addition to siutable alkenes with formation of quaternary centres.

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