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trans-1,4-Cyclohexanediol - >97.0%(GC), high purity , CAS No.6995-79-5

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trans-1,4-Cyclohexanediol - >97.0%(GC), high purity , CAS No.6995-79-5

2 Citations

COA

Grade & Purity:

≥97%(GC)

Cas Number: 6995-79-5
Molecular Weight: 116.16
Beilstein Registry Number: 6(4)5209
MDL number: MFCD00063612
PubChem CID: 11162

In stock

Item Number

T162677

Grouped product items
SKU	Size	Availability	Price
T162677-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$23.90
T162677-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$76.90
T162677-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$263.90

View related series

Cyclohexane (81) Oxygenated compounds (806)

Basic Description

Synonyms	EINECS 209-126-2 \| (1r,4r)-cyclohexane-1,4-diol \| (1s,4s)-cyclohexane-1,4-diol \| DTXSID60883614 \| NSC5651 \| NSC-5651 \| NSC5730 \| AKOS015912876 \| MFCD00075462 \| NSC 5651 \| 1,4-Dihydroxycyclohexane \| TD8009 \| C2319 \| FT-0606824 \| SCHEMBL102859 \| 1,4-Cyclohe
Specifications & Purity	≥97%(GC)
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(non-human)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

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	cyclohexane-1,4-diol
INCHI	InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2
InChIKey	VKONPUDBRVKQLM-UHFFFAOYSA-N
Smiles	C1CC(CCC1O)O
Isomeric SMILES	C1CC(CCC1O)O
Molecular Weight	116.16
Beilstein	6(4)5209
Reaxy-Rn	2036658
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2036658&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
F2525606	Certificate of Analysis	Dec 16, 2024	T162677
F2525608	Certificate of Analysis	Dec 16, 2024	T162677
F2525609	Certificate of Analysis	Dec 16, 2024	T162677
F2525611	Certificate of Analysis	Dec 16, 2024	T162677
G2504640	Certificate of Analysis	Dec 16, 2024	T162677
G2504641	Certificate of Analysis	Dec 16, 2024	T162677

Chemical and Physical Properties

Melt Point(°C)	140 °C
Molecular Weight	116.160 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	116.084 Da
Monoisotopic Mass	116.084 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	54.900
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. Shuiyang Liu, Guiyang Yan, Jiwei Wang, Jingda Zhou, Lele Bie, Yinggang Jia, Fanbao Meng. (2021) Self-assembly, phase behaviour and ion-conducting property of pyridinium-based ionic liquid-crystalline oligomers. LIQUID CRYSTALS,
2. Shengwen Kong, Xiaodong Wang, Lu Bai, Ying Song, Fanbao Meng. (2019) Multi-arm ionic liquid crystals formed by pyridine-mesophase and copper phthalocyanine. JOURNAL OF MOLECULAR LIQUIDS, 288 (111012).

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