RARECHEM AL BO 0036

RARECHEM AL BO 0036 - Names and Identifiers

Name	Isophthalic acid
Synonyms	M-PHTHALIC ACID m-Phthalic acid Isophthalic acid 1,3-phthalicacid m-Dicarboxybenzene RARECHEM AL BO 0036 1,3-dicarboxybenzene benzene-1,3-dicarboxylate m-benzenedicarboxylicacid 1,3-PHENYL DICARBOXYLIC ACID 1,3-BENZENEDICARBOXYLIC ACID Benzene-1,3-dicarboxylic acid
CAS	121-91-5
EINECS	204-506-4
InChI	InChI=1/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2
InChIKey	QQVIHTHCMHWDBS-UHFFFAOYSA-N

RARECHEM AL BO 0036 - Physico-chemical Properties

Molecular Formula	C8H6O4
Molar Mass	166.13
Density	1,54 g/cm3
Melting Point	341-343 °C (lit.)
Boling Point	214.32°C (rough estimate)
Flash Point	217.281°C
Water Solubility	0.01 g/100 mL (25 ºC)
Solubility	0.12g/l
Vapor Presure	0Pa at 25℃
Appearance	Colorless crystal
Color	White to off-white
Merck	14,5197
BRN	1909332
pKa	3.54(at 25℃)
PH	3.33(1 mM solution);2.76(10 mM solution);2.24(100 mM solution)
Storage Condition	Sealed in dry,Room Temperature
Stability	Stable. Incompatible with strong oxidizing agents, strong bases.
Sensitive	Easily absorbing moisture
Refractive Index	1.5100 (estimate)
MDL	MFCD00002516
Physical and Chemical Properties	Traits by water or ethanol crystals are colorless crystals. melting point 345~348 ℃ relative density 1.507 solubility: slightly soluble in water, insoluble in benzene, toluene and petroleum ether, soluble in methanol, ethanol, acetone and glacial acetic acid.
Use	For the preparation of alkyd resin, unsaturated polyester resin and other polymers and plasticizers, but also for the production of film coupler, fiber dyeing modifier; For the production of alkyd resin, unsaturated Polyester Resin and other polymers and plasticizers, also used in the manufacture of film coupler, coating and polyester fiber dyeing modifier and medicine."

RARECHEM AL BO 0036 - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany	2
RTECS	NT2007000
TSCA	Yes
HS Code	29173980

RARECHEM AL BO 0036 - Upstream Downstream Industry

Raw Materials	m-Xylene Acetic acid Cobalt (II) acetate anhydrous Manganous acetate m-Xylene
Downstream Products	Diethyl m-phthalate

RARECHEM AL BO 0036 - Reference

Reference

1. [IF=9.229] Huan Xia et al."Enzymatic Cascade Reactions Mediated by Highly Efficient Biomimetic Quasi Metal–Organic Frameworks."Acs Appl Mater Inter. 2021;13(19):22240–22253

RARECHEM AL BO 0036 - Nature

Open Data Verified Data

crystals crystallized from water or ethanol are colorless crystals. Flammable. Low toxicity. Density 1. 507. The melting point was 345-348 °c. Can sublimate. Slightly soluble in water, insoluble in benzene, toluene and petroleum ether, soluble in methanol, ethanol, acetone and acetic acid.

Last Update：2025-06-10 22:55:16

RARECHEM AL BO 0036 - Preparation Method

Open Data Verified Data

one-step oxidation method is a commonly used method, which uses M-xylene in acetic acid solvent, cobalt acetate as catalyst, acetaldehyde as promoter, low temperature (120 ℃), low pressure (0. 6MPa) liquid phase oxidation of isophthalic acid and terephthalic acid mixture, after separation and purification of pure isophthalic acid.
isophthalonitrile hydrolysis method isophthalonitrile as a raw material, obtained by hydrolysis, acidification.

Last Update：2022-01-01 10:43:42

RARECHEM AL BO 0036 - Introduction

Flammable. Low toxicity.. Heat to above 325 ℃ sublimate without melting. Easily soluble in methanol, ethanol, acetone and glacial acetic acid, slightly soluble in boiling water, almost insoluble in benzene, toluene and petroleum ether. It's irritating. Solubility in water: 0.01g/100ml (25 C)

Last Update：2022-10-16 17:12:44

RARECHEM AL BO 0036 - Application

Open Data Verified Data

used in the manufacture of alkyd resins, unsaturated polyester resins and other high polymers and plasticizers, also used in the manufacture of film couplers, coatings and polyester fiber dyeing modifiers and pharmaceuticals.

Last Update：2025-08-19 16:24:40

RARECHEM AL BO 0036 - Safety

Open Data Verified Data

This product is toxic. It has a stimulating effect on the skin and mucous membranes. Oral LD50 12. 2g/kg in rats. Mice were injected with LD50 4.2g/kg. See phthalic anhydride.
packed in plastic bags and wooden boxes. According to the provisions of the storage and transportation of toxic and flammable chemicals.

Last Update：2022-01-01 10:43:42

RARECHEM AL BO 0036 - Reference Information

LogP	1.66 at 25℃
NIST chemical information	Information provided by: webbook.nist.gov (external link)
EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
Overview	Isophthalic acid (IPA for short), also known as 1,3-phthalic acid or isophthalic acid, has strong heat resistance, hydrolysis resistance and chemical resistance. It can generate salt, dehydration, hydrogenation, halogenation and other reactions. The biggest use is to be used as an intermediate in the production of unsaturated polyester resins, secondly, it is used to manufacture polyester resin, alkyd resin (main purpose paint manufacturing) and printing ink. In addition, it can also be used for reinforcing plastics and packaging, manufacturing film color forming agents, coatings and polyester fiber dyeing modifiers, and medicine, etc., with broad prospects for development and utilization.
preparation method	isophthalic acid can be obtained by oxidizing m-xylene with chromic acid, or by melting reaction of potassium formate with potassium m-carboxybenzene sulfonate and potassium m-bromobenzoic acid.
application field	isophthalic acid is mainly used to produce unsaturated polyester resin, PET copolymerization tree and alkyd resin, among which unsaturated polyester resin accounts for 38.6%,PET copolymerization resin accounts for 39.9%, alkyd resin accounts for 14.9%, and others are 6.6%. In addition, isophthalic acid as a raw material can also be used to prepare polyallyl isophthalate (DAIP) resins that are widely used in the manufacture of precision, complex high-temperature insulation parts and impregnated laminates; preparation of toluene diethyl isophthalate (DEIP) as a special solvent in the production of diisocyanic acid; preparation of polybenzimidazole used as adhesives for aluminum alloy, stainless steel and other metal materials, metal honeycomb structures, polyimide films, silicon wafers and other materials; preparation of colorless oily liquid plasticizer diisooctyl isophthalate for good compatibility with PVC, nitrocellulose, polystyrene and other resins; preparation of light stabilizer raw material with anti-ultraviolet function m-phenylenediamine; preparation of polyisophthalylm-phenylenediamine (PMIA) aramid and other polyaryl polymers The main raw material for the preparation and production of isophthalic diamine (PMIA) aramid and other polyaryl polymers, isophthalyl chloride, etc.
use	used in the production of alkyd resins, unsaturated polyester resins and other polymers and plasticizers, as well as in the manufacture of film color forming agents, coatings and polyester fiber dyeing modifiers and medicines. Used as a chromatographic analysis reagent and also used in organic synthesis
production method	industry using m-xylene as raw material, cobalt acetate as catalyst, acetaldehyde as accelerator, acetic acid as solvent, under a pressure of about 0.6MPa at 120 ℃ low temperature liquid phase oxidation to obtain isophthalic acid. Raw material consumption quota: m-xylene (≥ 95%)900kg/t, acetaldehyde (≥ 96%)600kg/t, acetic acid (≥ 96%)500kg/t, cobalt acetate (≥ 98%)25kg/t. In addition, the hydrolysis of isophthalonitrile or the oxidation of m-xylene with potassium permanganate is also a method used in the industry to produce isophthalic acid.
auto-ignition temperature	1198 °F
toxic substance data	information provided by: pubchem.ncbi.nlm.nih.gov (external link)