Orotic acid

Description

Orotic acid · CAS 65-86-1 · C5H4N2O4. UNII 61H4T033E5. Melting Point: 653 to 655 °F (NTP, 1992); Melting Point: 345.5; Melting Point: 345-346 °C.

Identification

CAS Registry Number	65-86-1
PubChem CID	967
Molecular formula	C5H4N2O4
IUPAC name	2,4-dioxo-1H-pyrimidine-6-carboxylic acid
UNII (FDA)	61H4T033E5

Computed Descriptors

Molecular Weight	156.10
XLogP3	-1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	156.01710661
Monoisotopic Mass	156.01710661
Topological Polar Surface Area	95.5
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Melting Point	653 to 655 °F (NTP, 1992)
Melting Point	345.5
Melting Point	345-346 °C
Melting Point	345.5 °C
Solubility	1820
Solubility	In water, 1,820 mg/L at 25 °C
Solubility	1.82 mg/mL at 18 °C
LogP	-0.83
LogP	log Kow = -0.83
Dissociation Constants	pKa1 = 2.07; pKa2 = 9.45

Physical description & handling notes

• Orotic acid appears as white crystals or crystalline powder. (NTP, 1992)
• Solid
• Crystals
• less than 1 mg/mL at 68 °F (NTP, 1992)
• When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
• 181.87 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]

Regulatory Status

GHS notification summary	6.7% (4 / 60)

GHS Hazard Classification

GHS notification summary	6.7% (4 / 60)
Reported hazard statements	H302 (93.3%), H315 (88.3%), H319 (88.3%), H335 (81.7%)

Documented Uses

• Biochemical research, especially the biosynthesis of nucleic acids.
• Has been proposed as feed supplement in combination with methionine to aid growth of calves.
• This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
• Preparation by condensation of urea with monoethyl ester of oxalacetic acid in methanol: US Patent 2937175 (1963 to Kyowa)
• Synthesized from aspartic acid.
• Prepn by condensation of urea with monoethyl ester of oxalacetic acid in methanol: Scriabine, US 2937175

Synonyms

Orotic acid; 65-86-1; 6-Carboxyuracil; Oropur; Orodin; Orotyl; Vitamin B13; Orotonin; Whey factor; Orotonsan; Animal galactose factor; Uracil-6-carboxylic acid; 6-Uracilcarboxylic acid; Molkensaeure; Orotsaeure; Acido orotico

Frequently Asked Questions

What are the CAS number and molecular formula of Orotic acid?

CAS 65-86-1; molecular formula C5H4N2O4; molecular weight — g/mol.

What other names is Orotic acid known by?

Orotic acid, 65-86-1, 6-Carboxyuracil, Oropur, Orodin, Orotyl.

Is Orotic acid classified as hazardous?

6.7% of GHS notifications report no hazard classification (4 of 60).

What are the key physical properties of Orotic acid?

Melting Point: 653 to 655 °F (NTP, 1992); Melting Point: 345.5; Melting Point: 345-346 °C; Melting Point: 345.5 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.