3,4-二羟基苯甲醛

Description

3,4-Dihydroxybenzaldehyde · CAS 139-85-5 · C7H6O3. UNII 4PVP2HCH4T. Vapor Pressure: 0.000116 [mmHg]; LogP: 0.82.

Identification

CAS Registry Number	139-85-5
PubChem CID	8768
Molecular formula	C7H6O3
IUPAC name	3,4-dihydroxybenzaldehyde
UNII (FDA)	4PVP2HCH4T

Computed Descriptors

Molecular Weight	138.12
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	138.031694049
Monoisotopic Mass	138.031694049
Topological Polar Surface Area	57.5
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Vapor Pressure	0.000116 [mmHg]
LogP	0.82

Physical description & handling notes

• Solid; [Merck Index] Light brown powder; [Alfa Aesar MSDS]
• 126.83 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 126.8 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents
GHS notification summary	62.7% (89 / 142)

GHS Hazard Classification

GHS notification summary	62.7% (89 / 142)
Reported hazard statements	H315 (34.5%), H319 (37.3%), H335 (34.5%)

Documented Uses

• Present in wheat grains and other plants; [ChemIDplus]
• Agents that prevent BLOOD CLOTTING.

Synonyms

3,4-Dihydroxybenzaldehyde; Protocatechualdehyde; 139-85-5; PROTOCATECHUIC ALDEHYDE; Rancinamycin IV; 4-Formyl-1,2-dihydroxybenzene; 3,4-Dihydroxybenzenecarbonal; 4PVP2HCH4T; DTXSID4074512; CHEBI:50205; NSC-22961; GM-W03; RefChem:45419; DTXCID1034507; O HUI WHITE EXTREME CELLIGHT; 205-377-7

Frequently Asked Questions

What are the CAS number and molecular formula of 3,4-Dihydroxybenzaldehyde?

CAS 139-85-5; molecular formula C7H6O3; molecular weight — g/mol.

What other names is 3,4-Dihydroxybenzaldehyde known by?

3,4-Dihydroxybenzaldehyde, Protocatechualdehyde, 139-85-5, PROTOCATECHUIC ALDEHYDE, Rancinamycin IV, 4-Formyl-1,2-dihydroxybenzene.

What is the regulatory status of 3,4-Dihydroxybenzaldehyde?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents.

Is 3,4-Dihydroxybenzaldehyde classified as hazardous?

62.7% of GHS notifications report no hazard classification (89 of 142).

What are the key physical properties of 3,4-Dihydroxybenzaldehyde?

Vapor Pressure: 0.000116 [mmHg]; LogP: 0.82.

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.