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50409-12-6

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50409-12-6 Structure

50409-12-6 Structure
IdentificationBack Directory
[Name]

CIS,CIS-1,3,5-CYCLOHEXANETRIOL DIHYDRATE
[CAS]

50409-12-6
[Synonyms]

CIS-PHLOROGLUCITOL DIHYDRATE
CIS-1,3,5-TRIHYDROXYCYCLOHEXANE
(1α,3α,5α)-1,3,5-Cyclohexanetriol
(1α,3α,5α)-1,3,5-Cyclohexanetriol
-cyclohexane-1,3,5-triol dihydrate
1,3,5-Cyclohexanetriol, (1α,3α,5α)-
(1α,3α,5α)-1,3,5-Cyclohexanetriol >
CIS,CIS-1,3,5-CYCLOHEXANETRIOL DIHYDRATE
(1S,3s,5s)-cyclohexane-1,3,5-triol dihydrate
(1alpha,3alpha,5alpha)-1,3,5-Cyclohexanetriol
CIS,CIS-1,3,5-TRIHYDROXYCYCLOHEXANE DIHYDRATE
1,3,5-Cyclohexanetriol, (1.alpha.,3.alpha.,5.alpha.)-
[Molecular Formula]

C6H12O3
[MDL Number]

MFCD00150671
[MOL File]

50409-12-6.mol
[Molecular Weight]

132.16
Chemical PropertiesBack Directory
[Melting point ]

108-111 °C(lit.)
[Boiling point ]

302.1±42.0 °C(Predicted)
[density ]

1.356±0.06 g/cm3(Predicted)
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

14.22±0.60(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1/C6H12O3/c7-4-1-5(8)3-6(9)2-4/h4-9H,1-3H2/t4-,5+,6-
[InChIKey]

FSDSKERRNURGGO-FPFOFBBKNA-N
[SMILES]

[C@@H]1(O)C[C@@H](C[C@H](O)C1)O |&1:0,3,5,r|
[CAS DataBase Reference]

50409-12-6
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

2906.19.5000
Hazard InformationBack Directory
[Uses]

cis,cis-1,3,5-Cyclohexanetriol Dihydrate is a hydrogenated derivative of Phloroglucinol (P340000); an antispasmodic.
Spectrum DetailBack Directory
[Spectrum Detail]

CIS,CIS-1,3,5-CYCLOHEXANETRIOL DIHYDRATE(50409-12-6)1HNMR
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