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4-tert-Butylcyclohexanol, mixture of cis and trans - 98%, high purity , CAS No.98-52-2

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4-tert-Butylcyclohexanol, mixture of cis and trans - 98%, high purity , CAS No.98-52-2

2 Citations

COA

Grade & Purity:

≥98%

Cas Number: 98-52-2
Molecular Weight: 156.27
Beilstein Registry Number: 1902277
EC Number: 202-676-4
MDL number: MFCD00001473
PubChem CID: 7391

In stock

Item Number

T102225

Grouped product items
SKU	Size	Availability	Price
T102225-25g	25g	3	$9.90
T102225-100g	100g	3	$19.90
T102225-500g	500g	1	$54.90

View related series

Cyclohexane (81) Oxygenated compounds (806)

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	≥98%
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 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

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
WGK Germany	1
RTECS	GV8750000
Molecular Weight	156.27
Beilstein	1902277
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.

16 results found

Lot Number	Certificate Type	Date	Item
F2510524	Certificate of Analysis	May 22, 2025	T102225
F2510717	Certificate of Analysis	May 22, 2025	T102225
F2510718	Certificate of Analysis	May 22, 2025	T102225
F2510728	Certificate of Analysis	May 22, 2025	T102225
K2419611	Certificate of Analysis	Nov 02, 2024	T102225
K2419612	Certificate of Analysis	Nov 02, 2024	T102225
F2427337	Certificate of Analysis	Apr 30, 2024	T102225
G2411712	Certificate of Analysis	Apr 30, 2024	T102225
F2427338	Certificate of Analysis	Apr 30, 2024	T102225
J2331391	Certificate of Analysis	Oct 20, 2023	T102225
A1230010	Certificate of Analysis	Mar 09, 2023	T102225
E1817016	Certificate of Analysis	Apr 01, 2022	T102225
E2216070	Certificate of Analysis	Feb 24, 2022	T102225
E2216192	Certificate of Analysis	Feb 24, 2022	T102225
E2216078	Certificate of Analysis	Feb 24, 2022	T102225
E2216072	Certificate of Analysis	Feb 24, 2022	T102225

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Chemical and Physical Properties

Solubility	Soluble in Methanol
Refractive Index	1.447
Flash Point(°F)	221 °F
Flash Point(°C)	105°C
Boil Point(°C)	110-115°C
Melt Point(°C)	62-70°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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