1,4-Cyclohexanedicarboxylic acid

Inquiry

Molecular Formula:

Molecular Weight:

172.18

CAS Number:

1076-97-7

Catalog Number:

1076-97-7

Product Information

Molecular Formula:

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

IUPAC Name

cyclohexane-1,4-dicarboxylic acid

Canonical SMILES

InChI

InChI Key

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

172.07355886 g/mol

Monoisotopic Mass

172.07355886 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

169

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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