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5-Methyl-3-heptanol - >95.0%(GC), high purity , CAS No.18720-65-5

COA

Grade & Purity:

≥95%(GC)

Cas Number: 18720-65-5
Molecular Weight: 130.23
Beilstein Registry Number: 1(3)1731
PubChem CID: 86782

In stock

Item Number

M157908

Grouped product items
SKU	Size	Availability	Price	Qty
M157908-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$61.90
M157908-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$213.90

Basic Description

Synonyms	D91467 \| 3-Methyl-5-heptanol \| AKOS000249478 \| SECKOSOTZOBWEI-UHFFFAOYSA-N \| 3-Heptanol, 5-methyl- \| AI3-28629 \| M1223 \| 5-Methyl-3-heptanol \| SECKOSOTZOBWEI-UHFFFAOYSA- \| 3-Heptanol,5-methyl- \| SCHEMBL106138 \| MFCD00021920 \| 5-Methylheptan-3-ol \| 5-methy
Specifications & Purity	≥95%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Secondary alcohols
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
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-3-ol
INCHI	InChI=1S/C8H18O/c1-4-7(3)6-8(9)5-2/h7-9H,4-6H2,1-3H3
InChIKey	SECKOSOTZOBWEI-UHFFFAOYSA-N
Smiles	CCC(C)CC(CC)O
Isomeric SMILES	CCC(C)CC(CC)O
Molecular Weight	130.23
Beilstein	1(3)1731
Reaxy-Rn	1719292
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719292&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	153°C(lit.)
Melt Point(°C)	-91°C(lit.)
Molecular Weight	130.229 g/mol
XLogP3	2.700
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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