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4-(1，5-Dimethyl-4-hexenylidene)-1-methyl-cyclohexen - ≥95%(mixture of isomers), high purity , CAS No.495-62-5

COA

Grade & Purity:

≥95%(mixture of isomers)

Cas Number: 495-62-5
Molecular Weight: 204.36
MDL number: MFCD00129080
PubChem CID: 3033866

In stock

Item Number

M769192

Grouped product items
SKU	Size	Availability	Price
M769192-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$38.90
M769192-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$123.90
M769192-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$364.90
M769192-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,212.90
M769192-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,268.90

Basic Description

Specifications & Purity	≥95%(mixture of isomers)
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Sesquiterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Sesquiterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Sesquiterpenoids
Alternative Parents	Branched unsaturated hydrocarbons Cycloalkenes Unsaturated aliphatic hydrocarbons
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Bisabolane sesquiterpenoid - Sesquiterpenoid - Branched unsaturated hydrocarbon - Cycloalkene - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors	Bisabolane sesquiterpenoids
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	(4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
INCHI	InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14+
InChIKey	XBGUIVFBMBVUEG-CCEZHUSRSA-N
Smiles	CC1=CCC(=C(C)CCC=C(C)C)CC1
Isomeric SMILES	CC1=CC/C(=C(/C)\CCC=C(C)C)/CC1
PubChem CID	3033866
Molecular Weight	204.36

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	204.350 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	204.188 Da
Monoisotopic Mass	204.188 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	296.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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