Skip to the beginning of the images gallery

3,4-Dimethyl-3-cyclohexenecarboxaldehyde - >98.0%(GC), high purity , CAS No.18022-66-7

COA

Grade & Purity:

≥98%(GC)

Cas Number: 18022-66-7
Molecular Weight: 138.21
PubChem CID: 537551

In stock

Item Number

D155258

Grouped product items
SKU	Size	Availability	Price	Qty
D155258-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$307.90
D155258-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,160.90

Basic Description

Synonyms	3,4-Dimethyl-3-cyclohexenylmethanal \| 18022-66-7 \| 3,4-dimethylcyclohex-3-ene-1-carbaldehyde \| 3,4-Dimethyl-3-cyclohexenecarboxaldehyde \| 3-Cyclohexen-1-carboxaldehyde, 3,4-dimethyl- \| SCHEMBL6905356 \| DTXSID80336955 \| NOJNKSAQZMVMFF-UHFFFAOYSA-N \| 1,2-dimethyl-4-formyl-
Specifications & Purity	≥98%(GC)
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 Organic oxygen compounds
  - Class Organic oxides

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organic oxides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organic oxides
Alternative Parents	Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide group.
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	3,4-dimethylcyclohex-3-ene-1-carbaldehyde
INCHI	InChI=1S/C9H14O/c1-7-3-4-9(6-10)5-8(7)2/h6,9H,3-5H2,1-2H3
InChIKey	NOJNKSAQZMVMFF-UHFFFAOYSA-N
Smiles	CC1=C(CC(CC1)C=O)C
Isomeric SMILES	CC1=C(CC(CC1)C=O)C
Molecular Weight	138.21
Reaxy-Rn	2040252
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040252&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)	79°C/10mmHg(lit.)
Molecular Weight	138.210 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	138.104 Da
Monoisotopic Mass	138.104 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	168.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration