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4-(trans-4-Amylcyclohexyl)benzoic Acid - >98.0%(GC)(T), high purity , CAS No.65355-30-8

COA

Grade & Purity:

≥98%(GC)(T)

Cas Number: 65355-30-8
Molecular Weight: 274.4
MDL number: MFCD06208360
PubChem CID: 3104716
PubChem SID: 488194303

In stock

Item Number

T161858

Grouped product items
SKU	Size	Availability	Price
T161858-1g	1g	3	$9.90
T161858-5g	5g	3	$28.90
T161858-25g	25g	3	$85.90

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Benzoic acids (42) Material synthetic block (276)

Basic Description

Synonyms	4-(trans-4-pentylcyclohexyl)benzoicacid \| SCHEMBL13394845 \| A835084 \| AKOS015914918 \| 4-(4-pentylcyclohexyl)benzoic acid \| trans-4-(4-n-Pentylcyclohexyl)benzoic acid \| C18H26O2 \| MFCD06208360 \| STK670837 \| 4-(trans-4-Amylcyclohexyl)benzoic Acid \| F16571 \|
Specifications & Purity	≥98%(GC)(T)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	Benzoyl derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid - Benzoyl - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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

Pubchem Sid	488194303
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488194303
IUPAC Name	4-(4-pentylcyclohexyl)benzoic acid
INCHI	InChI=1S/C18H26O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h10-15H,2-9H2,1H3,(H,19,20)
InChIKey	YXKKMVGGPRVHIL-UHFFFAOYSA-N
Smiles	CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O
Isomeric SMILES	CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O
PubChem CID	3104716
Molecular Weight	274.4

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
H2003111	Certificate of Analysis	May 09, 2024	T161858
H2003110	Certificate of Analysis	May 09, 2024	T161858
H2003109	Certificate of Analysis	May 09, 2024	T161858

Chemical and Physical Properties

Solubility	Slightly soluble in water.
Melt Point(°C)	181 °C
Molecular Weight	274.400 g/mol
XLogP3	6.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	274.193 Da
Monoisotopic Mass	274.193 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	284.000
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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