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trans-4-tert-Butylcyclohexanol - ≥95%(GC), high purity , CAS No.21862-63-5

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trans-4-tert-Butylcyclohexanol - ≥95%(GC), high purity , CAS No.21862-63-5

2 Citations

COA

Grade & Purity:

≥95%(GC)

Cas Number: 21862-63-5
Molecular Weight: 156.27
MDL number: MFCD00064952
PubChem CID: 7391
PubChem SID: 488180407

In stock

Item Number

T161560

Grouped product items
SKU	Size	Availability	Price
T161560-250mg	250mg	8	$53.90
T161560-1g	1g	3	$164.90
T161560-5g	5g	1	$473.90

View related series

alcohol (850) Non heterocyclic block (8163)

Basic Description

Synonyms	EINECS 213-321-8 \| NCGC00164215-01 \| SB84138 \| BCP30881 \| Cyclohexanol, 4-tert-butyl-, cis- \| DTXCID606623 \| STL199047 \| Tox21_201515 \| NCGC00259065-01 \| (E)-4-tert-Butylcyclohexanol \| FT-0687850 \| L5067JRJ73 \| 4-(tert-Butyl)cyclohexanol \| AKOS015837822 \|
Specifications & Purity	≥95%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols
      - Level5 Secondary alcohols
        Level6 Cyclohexanols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Secondary alcohols
Direct Parent	Cyclohexanols
Alternative Parents	Cyclic alcohols and derivatives Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexanol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
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

Associated Targets(Human)

PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

Discover Target: PPARA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488180407
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180407
IUPAC Name	4-tert-butylcyclohexan-1-ol
INCHI	InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3
InChIKey	CCOQPGVQAWPUPE-UHFFFAOYSA-N
Smiles	CC(C)(C)C1CCC(CC1)O
Isomeric SMILES	CC(C)(C)C1CCC(CC1)O
Molecular Weight	156.27
Reaxy-Rn	1902277
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1902277&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
D2306711	Certificate of Analysis	Mar 25, 2023	T161560
D2306810	Certificate of Analysis	Mar 25, 2023	T161560
D2306775	Certificate of Analysis	Mar 25, 2023	T161560
D2306773	Certificate of Analysis	Mar 25, 2023	T161560
D2306702	Certificate of Analysis	Mar 25, 2023	T161560
D2306741	Certificate of Analysis	Mar 25, 2023	T161560

Chemical and Physical Properties

Melt Point(°C)	80 °C
Molecular Weight	156.260 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	156.151 Da
Monoisotopic Mass	156.151 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	115.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Lu Wang, Weili Deng, Peng Wang, Wencheng Huang, Jiamin Wu, Tingyu Zheng, Jiebo Chen. (2020) Degradations of aroma characteristics and changes of aroma related compounds, PPO activity, and antioxidant capacity in sugarcane juice during thermal process. JOURNAL OF FOOD SCIENCE, 85 (4): (1140-1150).
2. Wenyuan Pang, Qinyuan Fu, Caixia Xu, Chunyan Zhang, Lu Wang, Shoujing Zheng, Jie Pang, Jiebo Chen. (2025) Analysis key aroma compounds based on the aroma quality and infusion durability of jasmine tea. FOOD CHEMISTRY, 473 (143018).

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