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2-Methyl-6-hepten-3-yn-2-ol - 97%, high purity , CAS No.27068-29-7

COA

Grade & Purity:

≥97%

Cas Number: 27068-29-7
Molecular Weight: 124.18
MDL number: MFCD15143650
PubChem CID: 12228205

In stock

Item Number

M469014

Grouped product items
SKU	Size	Availability	Price	Qty
M469014-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$115.90
M469014-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$421.90

Basic Description

Synonyms	SCHEMBL9579514 \| J-016666 \| AKOS025295035 \| 2-methylhept-6-en-3-yn-2-ol \| 2-Methyl-6-hepten-3-yn-2-ol, 97% \| DTXSID30481404 \| allylethynyldimethylcarbinol \| 2-Methyl-6-hepten-3-yn-2-ol \| OCIGNFUSKHCDHV-UHFFFAOYSA-N \| starbld0043595
Specifications & Purity	≥97%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Alpha,beta-unsaturated carbonyl compounds
        Level6 Alpha,beta-unsaturated ketones
        Level7 Ynones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
Direct Parent	Ynones
Alternative Parents	Tertiary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ynone - Tertiary alcohol - Hydrocarbon derivative - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' not H).
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	2-methylhept-6-en-3-yn-2-ol
INCHI	InChI=1S/C8H12O/c1-4-5-6-7-8(2,3)9/h4,9H,1,5H2,2-3H3
InChIKey	OCIGNFUSKHCDHV-UHFFFAOYSA-N
Smiles	CC(C)(C#CCC=C)O
Isomeric SMILES	CC(C)(C#CCC=C)O
WGK Germany	3
Molecular Weight	124.18
Reaxy-Rn	1745494
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745494&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	124.180 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	124.089 Da
Monoisotopic Mass	124.089 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	154.000
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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