Terephthalic acid (CAS 100-21-0) — formula C8H6O4, molecular weight 166.13.
| CAS Number | 100-21-0 |
|---|---|
| Molecular Formula | C8H6O4 |
| Molecular Weight | 166.13 |
| Melting Point | 427 °C (sealed tube) |
| LogP | log Kow = 2.00 |
| Applications | Uses: Used in wool processing and making plastic films and sheets, Also added to poultry feeds and to certain antibiotics to increase their effectiveness, [HSDB], Textiles (Fiber & Fabric Manufacturing) [Category: Industry], Farming (Feed Additives) [Category: Industry], Terephthalic acid, is, ... used almost exclusively to produce saturated polyesters., Production of linear, crystalline polyester resins, fibers, and films by combination with glycols, reagent for alkali in wool, additive to poultry feeds., Forms polyesters with glycols which are made into plastic films & sheets, used, in analytical chemistry., Terephthalic acid is an intermediate in the production of oligomeric terephthalic acid esters., For more Uses (Complete) data for TEREPHTHALIC ACID (6 total), please visit the HSDB record page., Use Classification: Environmental transformation -> Pesticide transformation products (metabolite, successor), Industry Uses: Adhesion, cohesion promoter, Intermediate, Not Known or Reasonably Ascertainable, Filler, Monomers, Other, Binder, Solvent, Consumer Uses: Not Known or Reasonably Ascertainable, Methods of Manufacturing: p-Xylene is the feedstock for all terephthalic acid, production, . ... Oxidation catalysts and conditions have been developed which give nearly quantitative oxidation of the methyl groups, leaving the benzene ring virtually untouched. These catalysts are combinations of cobalt, manganese, and bromine, or cobalt with a co-oxidant, e.g., acetaldehyde [75-07-0]. Oxygen is the oxidant in all processes. Acetic acid [64-19-7] is the reaction solvent in all but one process. Given these constant factors, there is only one industrial oxidation process, with different variations, two separate purification processes, and one process which intermixes oxidation and esterification steps., Produced commercially primarily by the Amoco process. Inhibition of the oxidation of the second methyl group of p-xylene is suppressed with the aid of added bromine-containing promoters as cocatalysts. ... The oxidation takes place in air and produces raw terephthalic acid, which is dissolved at high temperature under pressure in water, hydrated, and thus purified., Prepared by oxidation of p-methylacetophenone., (1) Oxidation of para-xylene or of mixed xylenes and other alkyl aromatics (phthalic anhydride), (2) reacting benzene and potassium carbonate over a cadmium catalyst., Reacting carbon monoxide or methanol with toluene to form various intermediates which, upon oxidation, form terephthalic acid., Impurities: TECHNICAL GRADE: MAXIMUM MOISTURE CONTENT 0.5 WT%, POLYMER GRADE SPECIFICATIONS: ASH, 15 PPM (MAX), TOTAL SIGNIFICANT METALS (MOLYBDINUM, CHROMIUM, NICKEL, COBALT, IRON, TIN, MAGNESIUM) 10 PPM (MAX), 4-FORMYLBENZOIC ACID, 25 PPM (MAX), MOISTURE, 0.5% (MAX), Formulations, Preparations: Grades: Commercial, fiber., Technical grade: 98.5 wt%, min, polymer grade: >98.5 wt% polymer grade: >98.5 wt%, Specifications and typical analyses of purified terephthalic acid: [Table#2254], Consumption Patterns: CHEM INT FOR POLYETHYLENE TEREPHTHALATE POLYESTERS, OF WHICH 93% IS USED IN POLYESTER FIBERS, AND 7% IS USED IN POLYESTER FILM (1973), POLYESTER FILMS, 67%, PET FILMS AND PLASTICS, 23%, MISC, 3%, EXPORT, 7% (1982), 287X10+3 tons in the U.S. (1976), 1363X10+3 tons in the U.S. (1989), U.S. Production: 2023: 5, 500, 000, 000 - <7, 000 lb, 2022: 7, 000 - <8, 2021: 8, 000 - <10, 2020: 7, (1972) 3.63X10+10 G (FIBER GRADE), (1975) 4.9X10+11 G, (1985) 3.26X10+7 g, (1990) 7.77 billion lb, For more U.S. Production (Complete) data for TEREPHTHALIC ACID (12 total), U.S. Imports: (1972) NEGLIGIBLE, (1975) 3.7X10+9 G (PRINCPL CUSTMS DISTS), (1984) 8.06X10+7 G, U.S. Exports: (1973) 2.27-3.41X10+10 G, (1975) 4.5X10+10 G, (1982) 1.34X10+11 G, TEREPHTHALIC ACID AND DIMETHYL TEREPHTHALATE, General Manufacturing Information: Printing and Related Support Activities, Printing Ink Manufacturing, All Other Basic Organic Chemical Manufacturing, Textiles, apparel, and leather manufacturing, All Other Chemical Product and Preparation Manufacturing, Plastics Material and Resin Manufacturing, Paint and Coating Manufacturing, 1, 4-Benzenedicarboxylic acid: ACTIVE, US Capacity = 3.2X10+6 tons, yr including dimethyl ester (1978) |
Documented applications: Uses: Used in wool processing and making plastic films and sheets, Also added to poultry feeds and to certain antibiotics to increase their effectiveness, [HSDB], Textiles (Fiber & Fabric Manufacturing) [Category: Industry], Farming (Feed Additives) [Category: Industry], Terephthalic acid, is, ... used almost exclusively to produce saturated polyesters., Production of linear, crystalline polyester resins, fibers, and films by combination with glycols, reagent for alkali in wool, additive to poultry feeds., Forms polyesters with glycols which are made into plastic films & sheets, used, in analytical chemistry., Terephthalic acid is an intermediate in the production of oligomeric terephthalic acid esters., For more Uses (Complete) data for TEREPHTHALIC ACID (6 total), please visit the HSDB record page., Use Classification: Environmental transformation -> Pesticide transformation products (metabolite, successor), Industry Uses: Adhesion, cohesion promoter, Intermediate, Not Known or Reasonably Ascertainable, Filler, Monomers, Other, Binder, Solvent, Consumer Uses: Not Known or Reasonably Ascertainable, Methods of Manufacturing: p-Xylene is the feedstock for all terephthalic acid, production, . ... Oxidation catalysts and conditions have been developed which give nearly quantitative oxidation of the methyl groups, leaving the benzene ring virtually untouched. These catalysts are combinations of cobalt, manganese, and bromine, or cobalt with a co-oxidant, e.g., acetaldehyde [75-07-0]. Oxygen is the oxidant in all processes. Acetic acid [64-19-7] is the reaction solvent in all but one process. Given these constant factors, there is only one industrial oxidation process, with different variations, two separate purification processes, and one process which intermixes oxidation and esterification steps., Produced commercially primarily by the Amoco process. Inhibition of the oxidation of the second methyl group of p-xylene is suppressed with the aid of added bromine-containing promoters as cocatalysts. ... The oxidation takes place in air and produces raw terephthalic acid, which is dissolved at high temperature under pressure in water, hydrated, and thus purified., Prepared by oxidation of p-methylacetophenone., (1) Oxidation of para-xylene or of mixed xylenes and other alkyl aromatics (phthalic anhydride), (2) reacting benzene and potassium carbonate over a cadmium catalyst., Reacting carbon monoxide or methanol with toluene to form various intermediates which, upon oxidation, form terephthalic acid., Impurities: TECHNICAL GRADE: MAXIMUM MOISTURE CONTENT 0.5 WT%, POLYMER GRADE SPECIFICATIONS: ASH, 15 PPM (MAX), TOTAL SIGNIFICANT METALS (MOLYBDINUM, CHROMIUM, NICKEL, COBALT, IRON, TIN, MAGNESIUM) 10 PPM (MAX), 4-FORMYLBENZOIC ACID, 25 PPM (MAX), MOISTURE, 0.5% (MAX), Formulations, Preparations: Grades: Commercial, fiber., Technical grade: 98.5 wt%, min, polymer grade: >98.5 wt% polymer grade: >98.5 wt%, Specifications and typical analyses of purified terephthalic acid: [Table#2254], Consumption Patterns: CHEM INT FOR POLYETHYLENE TEREPHTHALATE POLYESTERS, OF WHICH 93% IS USED IN POLYESTER FIBERS, AND 7% IS USED IN POLYESTER FILM (1973), POLYESTER FILMS, 67%, PET FILMS AND PLASTICS, 23%, MISC, 3%, EXPORT, 7% (1982), 287X10+3 tons in the U.S. (1976), 1363X10+3 tons in the U.S. (1989), U.S. Production: 2023: 5, 500, 000, 000 - <7, 000 lb, 2022: 7, 000 - <8, 2021: 8, 000 - <10, 2020: 7, (1972) 3.63X10+10 G (FIBER GRADE), (1975) 4.9X10+11 G, (1985) 3.26X10+7 g, (1990) 7.77 billion lb, For more U.S. Production (Complete) data for TEREPHTHALIC ACID (12 total), U.S. Imports: (1972) NEGLIGIBLE, (1975) 3.7X10+9 G (PRINCPL CUSTMS DISTS), (1984) 8.06X10+7 G, U.S. Exports: (1973) 2.27-3.41X10+10 G, (1975) 4.5X10+10 G, (1982) 1.34X10+11 G, TEREPHTHALIC ACID AND DIMETHYL TEREPHTHALATE, General Manufacturing Information: Printing and Related Support Activities, Printing Ink Manufacturing, All Other Basic Organic Chemical Manufacturing, Textiles, apparel, and leather manufacturing, All Other Chemical Product and Preparation Manufacturing, Plastics Material and Resin Manufacturing, Paint and Coating Manufacturing, 1, 4-Benzenedicarboxylic acid: ACTIVE, US Capacity = 3.2X10+6 tons, yr including dimethyl ester (1978).
Terephthalic acid is a chemical compound with CAS registry number 100-21-0 and molecular formula C8H6O4 (molecular weight 166.13).
CAS number: 100-21-0
Its molecular formula C8H6O4 comprises 8 C, 6 H, 4 O atoms.
Also known as: Terephthalic acid · 对苯二甲酸
The CAS registry number of Terephthalic acid is 100-21-0.
Molecular formula C8H6O4, molecular weight 166.13.
It is also registered under: Terephthalic acid, 对苯二甲酸.
Recorded applications: Uses: Used in wool processing and making plastic films and sheets, Also added to poultry feeds and to certain antibiotics to increase their effectiveness, [HSDB], Textiles (Fiber & Fabric Manufacturing) [Category: Industry], Farming (Feed Additives) [Category: Industry], Terephthalic acid, is, ... used almost exclusively to produce saturated polyesters., Production of linear, crystalline polyester resins, fibers, and films by combination with glycols, reagent for alkali in wool, additive to poultry feeds., Forms polyesters with glycols which are made into plastic films & sheets, used, in analytical chemistry., Terephthalic acid is an intermediate in the production of oligomeric terephthalic acid esters., For more Uses (Complete) data for TEREPHTHALIC ACID (6 total), please visit the HSDB record page., Use Classification: Environmental transformation -> Pesticide transformation products (metabolite, successor), Industry Uses: Adhesion, cohesion promoter, Intermediate, Not Known or Reasonably Ascertainable, Filler, Monomers, Other, Binder, Solvent, Consumer Uses: Not Known or Reasonably Ascertainable, Methods of Manufacturing: p-Xylene is the feedstock for all terephthalic acid, production, . ... Oxidation catalysts and conditions have been developed which give nearly quantitative oxidation of the methyl groups, leaving the benzene ring virtually untouched. These catalysts are combinations of cobalt, manganese, and bromine, or cobalt with a co-oxidant, e.g., acetaldehyde [75-07-0]. Oxygen is the oxidant in all processes. Acetic acid [64-19-7] is the reaction solvent in all but one process. Given these constant factors, there is only one industrial oxidation process, with different variations, two separate purification processes, and one process which intermixes oxidation and esterification steps., Produced commercially primarily by the Amoco process. Inhibition of the oxidation of the second methyl group of p-xylene is suppressed with the aid of added bromine-containing promoters as cocatalysts. ... The oxidation takes place in air and produces raw terephthalic acid, which is dissolved at high temperature under pressure in water, hydrated, and thus purified., Prepared by oxidation of p-methylacetophenone., (1) Oxidation of para-xylene or of mixed xylenes and other alkyl aromatics (phthalic anhydride), (2) reacting benzene and potassium carbonate over a cadmium catalyst., Reacting carbon monoxide or methanol with toluene to form various intermediates which, upon oxidation, form terephthalic acid., Impurities: TECHNICAL GRADE: MAXIMUM MOISTURE CONTENT 0.5 WT%, POLYMER GRADE SPECIFICATIONS: ASH, 15 PPM (MAX), TOTAL SIGNIFICANT METALS (MOLYBDINUM, CHROMIUM, NICKEL, COBALT, IRON, TIN, MAGNESIUM) 10 PPM (MAX), 4-FORMYLBENZOIC ACID, 25 PPM (MAX), MOISTURE, 0.5% (MAX), Formulations, Preparations: Grades: Commercial, fiber., Technical grade: 98.5 wt%, min, polymer grade: >98.5 wt% polymer grade: >98.5 wt%, Specifications and typical analyses of purified terephthalic acid: [Table#2254], Consumption Patterns: CHEM INT FOR POLYETHYLENE TEREPHTHALATE POLYESTERS, OF WHICH 93% IS USED IN POLYESTER FIBERS, AND 7% IS USED IN POLYESTER FILM (1973), POLYESTER FILMS, 67%, PET FILMS AND PLASTICS, 23%, MISC, 3%, EXPORT, 7% (1982), 287X10+3 tons in the U.S. (1976), 1363X10+3 tons in the U.S. (1989), U.S. Production: 2023: 5, 500, 000, 000 - <7, 000 lb, 2022: 7, 000 - <8, 2021: 8, 000 - <10, 2020: 7, (1972) 3.63X10+10 G (FIBER GRADE), (1975) 4.9X10+11 G, (1985) 3.26X10+7 g, (1990) 7.77 billion lb, For more U.S. Production (Complete) data for TEREPHTHALIC ACID (12 total), U.S. Imports: (1972) NEGLIGIBLE, (1975) 3.7X10+9 G (PRINCPL CUSTMS DISTS), (1984) 8.06X10+7 G, U.S. Exports: (1973) 2.27-3.41X10+10 G, (1975) 4.5X10+10 G, (1982) 1.34X10+11 G, TEREPHTHALIC ACID AND DIMETHYL TEREPHTHALATE, General Manufacturing Information: Printing and Related Support Activities, Printing Ink Manufacturing, All Other Basic Organic Chemical Manufacturing, Textiles, apparel, and leather manufacturing, All Other Chemical Product and Preparation Manufacturing, Plastics Material and Resin Manufacturing, Paint and Coating Manufacturing, 1, 4-Benzenedicarboxylic acid: ACTIVE, US Capacity = 3.2X10+6 tons, yr including dimethyl ester (1978).
Independent reference data for Terephthalic acid (CAS 100-21-0), compiled from public chemistry databases.
| CAS Registry Number | 100-21-0 |
|---|---|
| PubChem CID | 7489 |
| Molecular formula | C8H6O4 |
| IUPAC name | terephthalic acid |
| UNII (FDA) | 6S7NKZ40BQ |
| Molecular Weight | 166.13 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 166.02660867 |
| Monoisotopic Mass | 166.02660867 |
| Topological Polar Surface Area | 74.6 |
| Heavy Atom Count | 12 |
| Melting Point | 427 °C (sealed tube) |
|---|---|
| Melting Point | > 300 °C |
| Flash Point | 260 °C |
| Flash Point | 500 °F (260 °C) (Open cup) |
| Solubility | In water, 15 mg/L at 20 °C |
| Solubility | 0.015 mg/mL at 20 °C |
| Density | 1.51 |
| Density | 1.51 @25 °C |
| Vapor Pressure | 0.0000092 [mmHg] |
| LogP | log Kow = 2.00 |
TEREPHTHALIC ACID; 100-21-0; p-Phthalic acid; 1,4-Benzenedicarboxylic acid; benzene-1,4-dicarboxylic acid; p-Dicarboxybenzene; 1,4-dicarboxybenzene; Acide terephtalique; p-Benzenedicarboxylic acid; p-Carboxybenzoic acid; Tephthol; para-Phthalic acid; Kyselina tereftalova; 4-Carboxybenzoic Acid; TA-33MP; WR 16262
| Regulatory & Food Contact | FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS |
|---|---|
| GHS notification summary | 82.5% (1040 / 1260) |
| GHS notification summary | 82.5% (1040 / 1260) |
|---|---|
| Reported hazard statements | H315 (17.4%), H319 (17.1%), H335 (15.1%), H320, H372, H302, H316, H361 |
This chemical does not meet GHS hazard criteria for 82.5% (1040 of 1260) of all reports.
H315 (17.4%): Causes skin irritation [Warning Skin corrosion/irritation]
Terephthalic acid · CAS 100-21-0 · C8H6O4. UNII 6S7NKZ40BQ. Melting Point: 427 °C (sealed tube); Melting Point: > 300 °C; Flash Point: 260 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 对苯二甲酸