Terephthalic acid is a benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4.
Definition
Terephthalic acid is a benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. It is a conjugate acid of a terephthalate(1-).
Source: PubChem
US FDA substance register · UNII 6S7NKZ40BQ · registered name Terephthalic acid · single chemical substance
Terephthalic Acid is the organic compound that conforms to the formula
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 100-21-0
- DTXSIDUS EPA chemical ID
- DTXSID6026080
- DTXCIDUS EPA compound ID
- DTXCID006080
- IUPAC
- Benzene-1,4-dicarboxylic acid
- Molecular formula
- C8H6O4
- Molecular weight
- 166.132 g/mol
Measured properties
- Appearance
- Terephthalic acid is a white powder. (NTP, 1992) · Liquid, Dry Powder, Other Solid, Large Crystals, CBI
- Boiling point
- greater than 572 °F at 760 mmHg (sublimes without melting) (NTP, 1992) · >572 °F (sublimes)
- Melting point
- Sublimes (NTP, 1992) · 427 °C (sealed tube)
- Solubility
- Insoluble (NTP, 1992) · Insoluble in chloroform, ether, acetic acid, slightly soluble in alcohol, soluble in alkalies
- Density
- 1.51 (NTP, 1992) - Denser than water, will sink · Specific gravity = 1.522 at 25 °C
- Dissociation constant
- The dissociation constants pK1 and pK2 for terephthalic acid at 25 °C are 3.54 and 4.46, respectively.
- pH
- 2.16
- Melting/freezing point
- &, gt, 300 ℃
- Flash point
- 260 ℃
- Upper/lower flammability or explosive limits
- - / 0.05 g/ℓ (d10=32.75 um,d50=109.76um,d90=228.1um(BS EN 14034-3))
- Vapour pressure
- 0.0000092 ㎜Hg (25℃)
- Water solubility
- 0.28 g/100㎖ (20℃)
- Relative density
- 1.51
- n-Octanol/water partition coefficient (Kow)
- 1.96
- Auto-ignition temperature
- 496 ℃
- Molecular weight
- 166.1
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: PubChem · KOSHA safety data sheets (Korea)
What products actually use it for
What the 14 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Monomers3
- Intermediate3
- Solvent2
- Processing aids not otherwise specified2
- Viscosity modifier2
- Catalyst1
- Plasticizer1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
6 skin studies and 2 eye studies are on record.
The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 8 studies
- Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) according to - Not classified
Skin Irritation · Screening - Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) equivalent or similar to - Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · other guideline: DoT corrosion screen according to - SkinSens1
Skin Sensitization · QSAR Predicted - Classification not possible
Skin Sensitization · Screening - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) equivalent or similar to - Category 2B
Eye Irritation · Screening
Source: US EPA CompTox dashboard
Related literature
- Two novel zinc-based MOFs as luminescence sensors to detect phenylglyoxylic acid. · 2022
- Thermotropic liquid crystalline copolyester fibers according to various heat treatment conditions · 2021
- Microbial synthesis of vanillin from waste poly(ethylene terephthalate) · 2021
- Toxicological Characterization of Phthalic Acid · 2011
- Study of OH• Radicals in Human Serum Blood of Healthy Individuals and Those with Pathological Schizophrenia · 2011
Linked databases 16
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem 2
- Tlooto literature search 2 3 4 5
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata
- Wikipedia · Korean · English · Japanese · Chinese