ChemicalBook--->CAS DataBase List--->6995-79-5

6995-79-5

6995-79-5 Structure

6995-79-5 Structure
IdentificationBack Directory
[Name]

TRANS-1,4-CYCLOHEXANEDIOL
[CAS]

6995-79-5
[Synonyms]

trans-Quinitol
trans-4-cyclohexanediol
TRANS-1,4-CYCLOHEXANEDIOL
trans-Cyclohexane-1,4-diol
1,4-Cyclohexanediol,trans-
trans-Hexahydrohydroquinone
(1r,4r)-cyclohexane-1,4-diol
trans-1,4-Dihydroxycyclohexane
trans-1,4-Cyclohexanediol
[Molecular Formula]

C6H12O2
[MDL Number]

MFCD00063612
[MOL File]

6995-79-5.mol
[Molecular Weight]

116.16
Chemical PropertiesBack Directory
[Melting point ]

141-142 ºC
[Boiling point ]

252 ºC
[density ]

1.156
[refractive index ]

1.4270 (estimate)
[Fp ]

66 ºC
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

14.75±0.40(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2/t5-,6-
[InChIKey]

VKONPUDBRVKQLM-IZLXSQMJSA-N
[SMILES]

[C@@H]1(O)CC[C@@H](O)CC1
[CAS DataBase Reference]

6995-79-5
[EPA Substance Registry System]

1,4-Cyclohexanediol, trans- (6995-79-5)
Hazard InformationBack Directory
[Uses]

trans-1,4-cyclohexanediol is used as a liquid crystal material intermediates and organic synthesis intermediates.
[Purification Methods]

Crystallise the trans-diol from MeOH or Me2CO. The diacetate has m 104.5-105o (from pet ether or 102-103o from EtOH). [Grob & Baumann Helv Chim Acta 38 604 1955, Owen & Robins J Chem Soc 320 1949, Beilstein 6 III 4080, 6 IV 5209.]
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Environment (GHS09)
GHS02,GHS09
[Signal word ]

Danger
[Hazard statements ]

H225-H411-H303
[Precautionary statements ]

P210-P273-P280-P312-P370+P378-P391-P403+P235-P501
[TSCA ]

TSCA listed
[HS Code ]

2906190090
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-1,4-CYCLOHEXANEDIOL(6995-79-5)1HNMR
TRANS-1,4-CYCLOHEXANEDIOL(6995-79-5)13CNMR
TRANS-1,4-CYCLOHEXANEDIOL(6995-79-5)IR1
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