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5-Methylhexanol - ≥97%, high purity , CAS No.627-98-5

COA

Grade & Purity:

≥97%

Cas Number: 627-98-5
Molecular Weight: 116.20
EC Number: 211-023-2
MDL number: MFCD00072703
PubChem CID: 12331

In stock

Item Number

M770144

Grouped product items
SKU	Size	Availability	Price
M770144-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
M770144-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$36.90
M770144-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$127.90
M770144-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$445.90

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Fatty chain compounds (194)

Basic Description

Synonyms	5-Methyl-1-hexanol \| 5-Methylhexan-1-ol \| Isoheptanol
Specifications & Purity	≥97%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal
Product Description	5-Methyl-1-hexanol, an aliphatic alcohol, can be prepared by the reduction of 5-methylhexanoic acid. It is predicted to have a fruity odor based on fuzzy partition and self organising maps (SOM) analysis data.5-Methyl-1-hexanol is a volatile organic compound found in:Alstonia boonei leaves；‘Hayward′ and ‘Hort16A′ kiwifruit；Tuber melanosporum fruiting body.

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	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

IUPAC Name	5-methylhexan-1-ol
INCHI	InChI=1S/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKey	ZVHAANQOQZVVFD-UHFFFAOYSA-N
Smiles	CC(C)CCCCO
Isomeric SMILES	CC(C)CCCCO
WGK Germany	3
Molecular Weight	116.20

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.422 (lit.)
Flash Point(°F)	86 °F
Flash Point(°C)	30 °C
Boil Point(°C)	167-168 °C (lit.)
Molecular Weight	116.200 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	116.12 Da
Monoisotopic Mass	116.12 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	41.700
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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