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(S)-(+)-6-Methyl-1-octanol - >98.0%(GC), high purity , CAS No.110453-78-6

COA

Grade & Purity:

≥98%(GC)

Cas Number: 110453-78-6
Molecular Weight: 144.26
Beilstein Registry Number: 1(4)1807
MDL number: MFCD00221493
PubChem CID: 13548104

In stock

Item Number

S161170

Grouped product items
SKU	Size	Availability	Price	Qty
S161170-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$585.90
S161170-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,855.90

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Chiral compounds (18) Material synthetic block (276)

Basic Description

Synonyms	6-Methyl-1-octanol # \| J-002430 \| 1-Octanol, 6-methyl-,(6S)- \| (S)-6-methyloctan-1-ol \| M0966 \| WWRGKAMABZHMCN-VIFPVBQESA-N \| SCHEMBL4288193 \| (6S)-6-Methyl-1-octanol \| Q27156553 \| (6s)-6-meth-yloctan-1-ol \| (6S)-6-methyloctan-1-ol \| MFCD00221493 \| T71591
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty alcohols

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty alcohols
Intermediate Tree Nodes	Not available
Direct Parent	Fatty alcohols
Alternative Parents	Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty alcohol - 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 fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
External Descriptors	primary alcohol - alkyl alcohol
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

IUPAC Name	(6S)-6-methyloctan-1-ol
INCHI	InChI=1S/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKey	WWRGKAMABZHMCN-VIFPVBQESA-N
Smiles	CCC(C)CCCCCO
Isomeric SMILES	CC[C@H](C)CCCCCO
PubChem CID	13548104
Molecular Weight	144.26
Beilstein	1(4)1807
Reaxy-Rn	5725846

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.43
Flash Point(°C)	80 °C
Boil Point(°C)	208°C(lit.)
Molecular Weight	144.250 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	144.151 Da
Monoisotopic Mass	144.151 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	61.700
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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