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4,4-dimethylcyclohexane-1-carbaldehyde - 97%, high purity , CAS No.394734-96-4

COA

Grade & Purity:

≥97%

Cas Number: 394734-96-4
Molecular Weight: 140.23
EC Number: 815-567-7
MDL number: MFCD21321797
PubChem CID: 22235295

In stock

Item Number

D633786

Grouped product items
SKU	Size	Availability	Price
D633786-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$174.90
D633786-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$243.90
D633786-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$348.90
D633786-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,046.90
D633786-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,095.90

Basic Description

Synonyms	FT-0756234 \| EN300-110172 \| 4,4-dimethylCyclohexanecarboxaldehyde \| MFCD21321797 \| SB37004 \| 4,4-dimethylcyclohexanecarbaldehyde \| 4,4-Dimethyl-cyclohexanecarbaldehyde \| Z1268606481 \| AKOS015258608 \| BS-13354 \| SCHEMBL1782649 \| 4,4-dimethylcyclohexane-1-c
Specifications & Purity	≥97%
Shipped In	Normal

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	4,4-dimethylcyclohexane-1-carbaldehyde
INCHI	InChI=1S/C9H16O/c1-9(2)5-3-8(7-10)4-6-9/h7-8H,3-6H2,1-2H3
InChIKey	AAEIBLQPASHLSV-UHFFFAOYSA-N
Smiles	CC1(CCC(CC1)C=O)C
Isomeric SMILES	CC1(CCC(CC1)C=O)C
Alternate CAS	394734-96-4
PubChem CID	22235295
Molecular Weight	140.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	140.220 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	140.12 Da
Monoisotopic Mass	140.12 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	117.000
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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