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4-Butylcyclohexanecarboxylic Acid (cis- and trans- mixture) - ≥98.0%(GC), high purity , CAS No.71101-89-8

COA

Grade & Purity:

≥98%(GC)

Cas Number: 71101-89-8
Molecular Weight: 184.28
EC Number: 677-973-9,678-222-8
MDL number: MFCD00460757
PubChem CID: 2060518
PubChem SID: 488192043

In stock

Item Number

B135677

Grouped product items
SKU	Size	Availability	Price
B135677-1g	1g	5	$45.90
B135677-5g	5g	5	$174.90
B135677-25g	25g	2	$515.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	HMS1409C10 \| STK503669 \| A866493 \| B1136 \| SCHEMBL1507888 \| B2986 \| BS-22323 \| (1s,4r)-4-butylcyclohexanecarboxylic acid \| AKOS001051963 \| BALGERHMIXFENA-MGCOHNPYSA-N \| V8G \| FT-0694703 \| UNII-C8XG78Y2T5 \| 4-butylcyclohexane carboxylic acid \| Cyclohexanec
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acids

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acids
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acids
Alternative Parents	Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
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	488192043
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488192043
IUPAC Name	4-butylcyclohexane-1-carboxylic acid
INCHI	InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKey	BALGERHMIXFENA-UHFFFAOYSA-N
Smiles	CCCCC1CCC(CC1)C(=O)O
Isomeric SMILES	CCCCC1CCC(CC1)C(=O)O
Alternate CAS	67589-83-7,71101-89-8,38289-28-0
Molecular Weight	184.28
Reaxy-Rn	2359627
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2359627&ln=

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.

6 results found

Lot Number	Certificate Type	Date	Item
G2326140	Certificate of Analysis	May 09, 2025	B135677
G2326155	Certificate of Analysis	May 09, 2025	B135677
G2326150	Certificate of Analysis	May 09, 2025	B135677
G2326143	Certificate of Analysis	May 09, 2025	B135677
G2326134	Certificate of Analysis	May 09, 2025	B135677
G2326146	Certificate of Analysis	May 09, 2025	B135677

Chemical and Physical Properties

Solubility	Soluble in methanol
Refractive Index	1.47
Molecular Weight	184.270 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	184.146 Da
Monoisotopic Mass	184.146 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	157.000
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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