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5-Methyl-2-heptanol - 95%(GC), high purity , CAS No.54630-50-1

COA

Grade & Purity:

≥95%(GC)

Cas Number: 54630-50-1
Molecular Weight: 130.23
MDL number: MFCD00060896
PubChem CID: 41143

In stock

Item Number

M303950

Grouped product items
SKU	Size	Availability	Price	Qty
M303950-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$27.90
M303950-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$115.90

View related series

alcohol (850) Non heterocyclic block (8163)

Basic Description

Synonyms	2-Heptanol, 5-methyl- \| AKOS009157535 \| SB85083 \| InChI=1/C8H18O/c1-4-7(2)5-6-8(3)9/h7-9H,4-6H2,1-3H3 \| D91466 \| FYMBAYNKBWGEIK-UHFFFAOYSA- \| 5-METHYL-2-HEPTANOL \| FYMBAYNKBWGEIK-UHFFFAOYSA-N \| SCHEMBL1657236 \| DTXSID30866434 \| 5-methyl-heptan-2-ol \| 5-me
Specifications & Purity	≥95%(GC)
Storage Temp	Room temperature,Desiccated
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	Secondary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - 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-methylheptan-2-ol
INCHI	InChI=1S/C8H18O/c1-4-7(2)5-6-8(3)9/h7-9H,4-6H2,1-3H3
InChIKey	FYMBAYNKBWGEIK-UHFFFAOYSA-N
Smiles	CCC(C)CCC(C)O
Isomeric SMILES	CCC(C)CCC(C)O
Molecular Weight	130.23
Reaxy-Rn	1697450
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697450&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°C)	38°C(lit.)
Boil Point(°C)	172°C(lit.)
Molecular Weight	130.229 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	130.136 Da
Monoisotopic Mass	130.136 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	61.600
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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