1,4-Cyclohexanedicarboxylic acid

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Product Information

Molecular Formula:
0
Molecular Weight:
172.18
Description
1,4-Cyclohexanedicarboxylic acid (CAS# 1076-97-7) is used in preparation method of Polyester resin for metal coating.
Synonyms
0
IUPAC Name
cyclohexane-1,4-dicarboxylic acid
Canonical SMILES
0
InChI
0
InChI Key
0
Boiling Point
384.1 °C at 760 mmHg
Melting Point
165-168 °C
Flash Point
235°C
Purity
> 98.0 % (GC) (T)
Density
1.314 g/cm3
Appearance
White crystal
Storage
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Refractive Index
1.4450 (estimate)
Stability
Stable under normal temperatures and pressures.
LogP
0.96200
Vapor Pressure
0.0112mmHg at 25°C

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word
Warning

Computed Properties

XLogP3
0.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
172.07355886 g/mol
Monoisotopic Mass
172.07355886 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
169
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
JP-2022029172-A Active ingredient release material, method of manufacturing active ingredient release material, method of release of active ingredient 2020-08-04
JP-2021177828-A Dial-type racing system string 2020-05-11
JP-2021137697-A Cyclic compound separation or purification methods, cyclic compound production methods, separators, and separators 2020-03-02
EP-3842470-A1 Polyamide moulding compositions for hypochlorite resistant applications 2019-12-23
EP-3842496-A1 Polyamide moulding compositions for hypochlorite resistant applications 2019-12-23
US-2021187361-A1 Golf ball 2019-12-23
US-2021189124-A1 Polyamide molding compounds for hypochlorite-resistant applications 2019-12-23
US-2021189125-A1 Polyamide molding compounds for applications resistant to hypochlorite 2019-12-23
WO-2021123018-A1 Soap composition 2019-12-20
WO-2021123144-A1 Pro-perfume compositions 2019-12-20

Literatures

PMID Publication Date Title Journal
22945794 2012-10-21 Incorporation of spin-5/2 chain into 2D network with conformational pure e,a-cis-cyclohexane-1,4-dicarboxylato linker Dalton transactions (Cambridge, England : 2003)
21422616 2011-04-01 Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature Acta crystallographica. Section B, Structural science
21522256 2011-02-12 Bis(μ-cyclo-hexane-1,4-dicarboxyl-ato)bis-{aqua-[1-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)naphthalen-2-ol]cadmium} monohydrate Acta crystallographica. Section E, Structure reports online
20826823 2010-11-12 The N domain of human angiotensin-I-converting enzyme: the role of N-glycosylation and the crystal structure in complex with an N domain-specific phosphinic inhibitor, RXP407 The Journal of biological chemistry
21580265 2010-02-24 Poly[[μ(2)-1,2-bis-(imidazol-1-ylmeth-yl)benzene](μ(2)-cyclo-hexane-1,4-dicarboxyl-ato)cobalt(II)] Acta crystallographica. Section E, Structure reports online
21579917 2009-12-04 Poly[tetra-kis(μ-cyclo-hexa-ne-1,4-di-carboxyl-ato)di-μ-hydroxido-penta-zinc(II)] Acta crystallographica. Section E, Structure reports online
21577703 2009-09-05 Poly[[μ(2)-1,4-bis-(imidazol-1-ylmeth-yl)benzene]bis-(μ(4)-cyclo-hexane-1,4-dicarboxyl-ato)dicobalt(II)] Acta crystallographica. Section E, Structure reports online
19652299 2009-08-01 Poly[diaqua[mu-1,4-bis(imidazol-1-ylmethyl)benzene-kappa2N3:N3'](mu-trans-cyclohexane-1,4-carboxylato-kappa2O1:O4)manganese(II)]: a three-dimensional hydrogen-bonding alpha-polonium net Acta crystallographica. Section C, Crystal structure communications
21583309 2009-07-31 Poly[[μ-1,4-bis-(imidazol-1-ylmeth-yl)benzene]bis-(μ(4)-cyclo-hexane-1,4-dicarboxyl-ato)dinickel(II)] Acta crystallographica. Section E, Structure reports online
21582692 2009-06-10 catena-Poly[[bis-(4-carboxy-cyclo-hexane-carboxyl-ato-κO,O)cadmium(II)]-μ-1,4-bis-(imidazol-1-ylmeth-yl)benzene-κN:N] Acta crystallographica. Section E, Structure reports online
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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