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4-(Methylthio)-1-butanol - 97%, high purity , CAS No.20582-85-8

COA

Grade & Purity:

≥97%

Cas Number: 20582-85-8
Molecular Weight: 120.21
MDL number: MFCD00002973
PubChem CID: 519793
PubChem SID: 504759043

In stock

Item Number

M468928

Grouped product items
SKU	Size	Availability	Price
M468928-1g	1g	2	$92.90
M468928-5g	5g	1	$414.90
M468928-25g	25g	1	$1,861.90

Basic Description

Synonyms	1-Butanol, 4-(methylthio)- \| 4-(Methylthio)butanol, 97% \| 4-methylthiobutan-1-ol \| CHEBI:166590 \| A814718 \| FT-0708809 \| Q27294573 \| J-013439 \| 4-(methylthio)butan-1-ol \| MFCD00002973 \| 4-(Methylthio)butanol, 97%, FG \| EN300-170886 \| ?4-(METHYLTHIO)BUTANO
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Dialkylthioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Dialkylthioethers
Intermediate Tree Nodes	Not available
Direct Parent	Dialkylthioethers
Alternative Parents	Sulfenyl compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Dialkylthioether - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504759043
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759043
IUPAC Name	4-methylsulfanylbutan-1-ol
INCHI	InChI=1S/C5H12OS/c1-7-5-3-2-4-6/h6H,2-5H2,1H3
InChIKey	JNTVUHZXIJFHAU-UHFFFAOYSA-N
Smiles	CSCCCCO
Isomeric SMILES	CSCCCCO
WGK Germany	3
Molecular Weight	120.21
Reaxy-Rn	1732310
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732310&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
J2318498	Certificate of Analysis	Sep 22, 2023	M468928
J2318497	Certificate of Analysis	Sep 22, 2023	M468928
J2318592	Certificate of Analysis	Sep 22, 2023	M468928
J2318591	Certificate of Analysis	Sep 22, 2023	M468928
J2318567	Certificate of Analysis	Sep 22, 2023	M468928

Chemical and Physical Properties

Refractive Index	1.487
Flash Point(°F)	215.6 °F
Flash Point(°C)	102 °C
Boil Point(°C)	95-98 °C
Molecular Weight	120.220 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	120.061 Da
Monoisotopic Mass	120.061 Da
Topological Polar Surface Area	45.500 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	31.300
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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