Barbituric acid is a barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo groups.
Definition
Barbituric acid is a barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo groups. Barbituric acid is the parent compound of barbiturate drugs, although it is not itself pharmacologically active. It has a role as a xenobiotic and an allergen. It is a conjugate acid of a barbiturate, a barbiturate(2-) and a barbiturate(1-).
Source: PubChem
US FDA substance register · UNII WQ92Y2793G · registered name Barbituric acid · single chemical substance
Barbituric 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
- 67-52-7
- EC No.EU chemical inventory number
- 200-658-0
- DTXSIDUS EPA chemical ID
- DTXSID8020129
- DTXCIDUS EPA compound ID
- DTXCID20129
- IUPAC
- 1,3-Diazinane-2,4,6-trione
- Molecular formula
- C4H4N2O3
- Molecular weight
- 128.087 g/mol
Measured properties
- Appearance
- solid
- Colour
- white
- pH
- 2~3 (50 g/ℓ, 60℃)
- Initial boiling point and range
- 260 ℃
- Flash point
- 150 ℃
- Flammability (solid, gas)
- not flammable
- Vapour pressure
- 0 ㎜Hg (25℃)
- Water solubility
- 11.45 g/ℓ (25℃)
- Vapour density
- 720 ㎏/㎥
- Relative density
- 1.455 (g/cm3)
- n-Octanol/water partition coefficient (Kow)
- -1.47 (log Pow)
- Auto-ignition temperature
- ≥260 ℃
- Decomposition temperature
- ≥ 260 ℃
- Molecular weight
- 128.09
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: KOSHA safety data sheets (Korea)
What products actually use it for
What the 2 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.
- Intermediate2
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
2 skin studies and 3 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 5 studies
- Category 6.3A (Category 2)
Skin Irritation · Read Across - Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) according to - Studies Indicate No Significant Irritation
eye irritation: in vitro / ex vivo · Screening · OECD Guideline 437 (Bovine Corneal Opacity and Permeability Test Method for Identifying Ocular Corrosives and Severe Irritants) [before 26 July 2013] according to - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) according to - Category 6.4A (Category 2A)
Eye Irritation · Read Across
Source: US EPA CompTox dashboard
Related literature
- Acetone Extract from Rhodomyrtus tomentosa: A Potent Natural Antioxidant · 2012
- Development of novel coumarin-barbituric acid hybrids as a new class of anti-breast cancer agents. · 2025
- Effects of a convulsant barbiturate on dorsal root ganglion cells and dorsal root discharges. · 1971
- The tranquilizing efficacy of ethchlorvynol (placidyl) in dermatological therapy. · 1957
- [Cutaneous changes in acute poisoning by barbituric acid derivatives]. · 1951
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
- 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