Homovanillic acid

Description

Homovanillic acid · CAS 306-08-1 · C9H10O4. UNII X77S6GMS36. Melting Point: 138 - 140 °C; Solubility: 17 mg/mL; Vapor Pressure: 0.00000823 [mmHg].

Identification

CAS Registry Number	306-08-1
PubChem CID	1738
Molecular formula	C9H10O4
IUPAC name	2-(4-hydroxy-3-methoxyphenyl)acetic acid
UNII (FDA)	X77S6GMS36

Computed Descriptors

Molecular Weight	182.17
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	182.05790880
Monoisotopic Mass	182.05790880
Topological Polar Surface Area	66.8
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Melting Point	138 - 140 °C
Solubility	17 mg/mL
Vapor Pressure	0.00000823 [mmHg]
LogP	0.33
LogP	1.18
Collision Cross Section	145.9 Ų [M+Na]+
Collision Cross Section	136.3 Ų [M-H]-

Physical description & handling notes

• White solid; [Merck Index] White to pale brown crystalline powder; [Alfa Aesar MSDS]
• Solid
• 134.15 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
• 140.75 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
• 149.57 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
• 146.2 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

GHS Hazard Classification

Reported hazard statements	H315 (100%), H319 (100%), H335 (97.8%)

Documented Uses

• A metabolite present in human urine; [Merck Index]
• Benzeneacetic acid, 4-hydroxy-3-methoxy-: ACTIVE
• Dopamine beta-hydroxylase deficiency
• Monoamine oxidase-a deficiency (MAO-A)
• Tyrosinemia, transient, of the newborn

Synonyms

Homovanillic acid; 306-08-1; 4-Hydroxy-3-methoxyphenylacetic acid; 2-(4-hydroxy-3-methoxyphenyl)acetic acid; Benzeneacetic acid, 4-hydroxy-3-methoxy-; Vanillacetic acid; 3-Methoxy-4-hydroxyphenylacetic acid; 4-Hydroxy-3-methoxybenzeneacetic acid; (4-HYDROXY-3-METHOXYPHENYL)ACETIC ACID; Acetic acid, (4-hydroxy-3-methoxyphenyl)-; X77S6GMS36; DTXSID5059791; HMDB00118; NSC-16682; CHEBI:545959; Acid, Homovanillic

Frequently Asked Questions

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

CAS 306-08-1; molecular formula C9H10O4; molecular weight — g/mol.

What other names is Homovanillic acid known by?

Homovanillic acid, 306-08-1, 4-Hydroxy-3-methoxyphenylacetic acid, 2-(4-hydroxy-3-methoxyphenyl)acetic acid, Benzeneacetic acid, 4-hydroxy-3-methoxy-, Vanillacetic acid.

Is Homovanillic acid classified as hazardous?

Hazard statements reported: H315, H319, H335.

What are the key physical properties of Homovanillic acid?

Melting Point: 138 - 140 °C; Solubility: 17 mg/mL; Vapor Pressure: 0.00000823 [mmHg]; LogP: 0.33.

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.