ChemicalBook--->CAS DataBase List--->2305-32-0

2305-32-0

2305-32-0 Structure

2305-32-0 Structure
IdentificationMore
[Name]

trans-1,2-Cyclohexanedicarboxylic acid
[CAS]

2305-32-0
[Synonyms]

TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ACID
TRANS-CYCLOHEXANE-1,2-DICARBOXYLIC ACID
TRANS-HEXAHYDRO-PHTHALIC ACID
trans-1,2-Cyclohexanedicarboxylic acid, remainder cis, 95%
TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ACDI
trans-Cyclohexane-1,2-dicarboxylic acid, trans-Hexahydrophthalic acid
TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ACID, 95%, REMAINDER CIS
rel-(1R*)-1β*,2α*-Cyclohexanedicarboxylic acid
rel-(1R*,2R*)-1,2-Cyclohexanedicarboxylic acid
rel-Cyclohexane-1β*,2α*-dicarboxylic acid
[EINECS(EC#)]

218-975-8
[Molecular Formula]

C8H12O4
[MDL Number]

MFCD00001464
[Molecular Weight]

172.18
[MOL File]

2305-32-0.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

228-230 °C (lit.)
[Boiling point ]

262.49°C (rough estimate)
[density ]

1.2104 (rough estimate)
[refractive index ]

1.4450 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

Acetone (Slightly), DMSO (Slightly)
[form ]

Solid
[pka]

pK1:4.18;pK2: 5.93 (20°C)
[color ]

White
[Water Solubility ]

2g/L(20 ºC)
[Detection Methods]

T
[BRN ]

3200609
[InChIKey]

QSAWQNUELGIYBC-WDSKDSINSA-N
[CAS DataBase Reference]

2305-32-0(CAS DataBase Reference)
[NIST Chemistry Reference]

1,2-Cyclohexanedicarboxylic acid, trans-(2305-32-0)
[EPA Substance Registry System]

1,2-Cyclohexanedicarboxylic acid, (1R,2R)-rel- (2305-32-0)
Questions And AnswerBack Directory
[Synthesis]

trans-1,2-cyclohexanedicarboxylic acid was prepared from phthalic anhydride via catalytic hydrogenation, resolution, and acidification. The resulting product had an optical purity (ee value) of 99.8% and a total yield of 40%, meeting both quality and industrialization requirements. The reaction formula is as follows:

Synthetic route diagram of trans-1,2-cyclohexanedicarboxylic acid

Figure: Synthetic route diagram of trans-1,2-cyclohexanedicarboxylic acid

Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

GU9065000
[TSCA ]

Yes
[HS Code ]

29172000
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

trans-Hexahydrophthalic acid(2305-32-0).msds
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Uses]

trans-1,2-cyclohexanedicarboxylic acid be used as organic intermediates.
[Purification Methods]

It is purified by recrystallisation from EtOH or H2O. It is formed by hydrolyzing the anhydride with water. The dimethyl ester has m 95-96o (from *C6H6/pet ether). [Abell J Org Chem 22 769 1957, Smith & Byrne J Am Chem Soc 72 4406 1950, Linstead et al. J Am Chem Soc 64 2093 1942, Beilstein 9 III 3812, 9 IV 2801.] The 1R,2R-(-)-trans-cyclohexane-1,2-acid [46022-05-3] has m 171-182o and [ ] D -20o (c 1, Me2CO). cis-Cyclohexane-1,2-dicarboxylic anhydride (cis-hexahydrophthalic anhydride) [85-42-7, 13149-00-3] M 154.2, m 32-34o, b 158o/17mm. It has been obtained by heating the trans-acid or anhydride at 200o. Crystallise it from *C6H6/Et2O or distil it. [Kohler & Jansen J Am Chem Soc 60 2145 1938, Abell J Org Chem 22 769 1957, Beilstein 17 II 452, 17 III/IV 5931.]
Spectrum DetailBack Directory
[Spectrum Detail]

trans-1,2-Cyclohexanedicarboxylic acid(2305-32-0)1HNMR
trans-1,2-Cyclohexanedicarboxylic acid(2305-32-0)IR1
trans-1,2-Cyclohexanedicarboxylic acid(2305-32-0)IR2
trans-1,2-Cyclohexanedicarboxylic acid(2305-32-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

trans-1,2-Cyclohexanedicarboxylic acid, remainder cis, 95%(2305-32-0)
[Alfa Aesar]

trans-1,2-Cyclohexanedicarboxylic acid, 98%(2305-32-0)
[Sigma Aldrich]

2305-32-0(sigmaaldrich)
[TCI AMERICA]

trans-1,2-Cyclohexanedicarboxylic Acid,>97.0%(GC)(T)(2305-32-0)
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