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3-(Methylthio)-1-hexanol - 98%, high purity , CAS No.51755-66-9

COA

Grade & Purity:

≥98%

Cas Number: 51755-66-9
Molecular Weight: 148.27
EC Number: 257-380-8
MDL number: MFCD00010674
PubChem CID: 65413
PubChem SID: 488183681

In stock

Item Number

M102904

Grouped product items
SKU	Size	Availability	Price
M102904-5g	5g	9	$15.90
M102904-25g	25g	4	$58.90
M102904-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$178.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	3-methylsulfanylhexan-1-ol \| MFCD00010674 \| Q27275437 \| FT-0613798 \| 3-METHYLTHIO-1-HEXANOL [FHFI] \| J-640446 \| J-800460 \| D91575 \| DTXSID10866215 \| 3-(Methylthio)-1-hexanol, >=97%, FG \| 3-methylthio-1-hexanol \| AI3-37114 \| FEMA No. 3438 \| 3-(Methylmercap
Specifications & Purity	≥98%
Shipped In	Normal

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

Names and Identifiers

Pubchem Sid	488183681
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183681
IUPAC Name	3-methylsulfanylhexan-1-ol
INCHI	InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3
InChIKey	JSASXSHMJYRPCM-UHFFFAOYSA-N
Smiles	CCCC(CCO)SC
Isomeric SMILES	CCCC(CCO)SC
WGK Germany	3
Molecular Weight	148.27
Reaxy-Rn	1847145
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1847145&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.

4 results found

Lot Number	Certificate Type	Date	Item
H1612059	Certificate of Analysis	Apr 10, 2024	M102904
D2318526	Certificate of Analysis	Feb 14, 2022	M102904
C2208047	Certificate of Analysis	Feb 14, 2022	M102904
C2209049	Certificate of Analysis	Feb 14, 2022	M102904

Chemical and Physical Properties

Refractive Index	1.4759
Flash Point(°F)	226.4 °F
Flash Point(°C)	108 °C
Boil Point(°C)	61-62°C
Molecular Weight	148.270 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	148.092 Da
Monoisotopic Mass	148.092 Da
Topological Polar Surface Area	45.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	56.900
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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