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cis,cis-1,3,5-Cyclohexanetriol dihydrate - 98%, high purity , CAS No.60662-54-6

COA

Grade & Purity:

≥98%

Cas Number: 60662-54-6
Molecular Weight: 168.19
Beilstein Registry Number: 2203732
MDL number: MFCD00150671
PubChem CID: 16211857

In stock

Item Number

C472532

Grouped product items
SKU	Size	Availability	Price	Qty
C472532-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$236.90
C472532-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$902.90

Basic Description

Synonyms	(1S,3s,5s)-cyclohexane-1,3,5-triol dihydrate \| A,3 \| SC3XXD79A4 \| 1,3,5-Cyclohexanetriol, dihydrate, (1.alpha.,3.alpha.,5.alpha.)- \| SCHEMBL227534 \| 1,3,5-CYCLOHEXANETRIOL, HYDRATE (1:2), (1.ALPHA.,3.ALPHA.,5.ALPHA.)- \| Cyclohexane-1,3,5-triol--water (1/2
Specifications & Purity	≥98%

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	Cyclitols and derivatives Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexanol - Cyclitol or derivatives - Cyclic alcohol - Polyol - Organic oxide - 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

Names and Identifiers

IUPAC Name	cyclohexane-1,3,5-triol;dihydrate
INCHI	InChI=1S/C6H12O3.2H2O/c7-4-1-5(8)3-6(9)2-4;;/h4-9H,1-3H2;2*1H2
InChIKey	MAPLMYMZLRIJSP-UHFFFAOYSA-N
Smiles	C1C(CC(CC1O)O)O.O.O
Isomeric SMILES	C1C(CC(CC1O)O)O.O.O
WGK Germany	3
Molecular Weight	168.19
Beilstein	2203732
Reaxy-Rn	21424424
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21424424&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	492.4° C at 760 mmHg (Predicted)
Melt Point(°C)	108-111° C (lit.)
Molecular Weight	168.190 g/mol
XLogP3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	168.1 Da
Monoisotopic Mass	168.1 Da
Topological Polar Surface Area	62.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	63.300
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	3

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