4-羟基苯甲醛

Description

4-Hydroxy benzaldehyde is identified by CAS 123-08-0, molecular formula C7H6O2 and molecular weight 122.04 g/mol. UNII O1738X3Y38; ChEBI 17597; InChIKey RGHHSNMVTDWUBI-UHFFFAOYSA-N. Boiling Point: 310; Boiling Point: 310.00 to 311.00 °C. @ 760.00 mm Hg; Melting Point: 117.

Identification

CAS Registry Number	123-08-0
PubChem CID	126
Molecular formula	C7H6O2
Molecular weight	122.04 g/mol
IUPAC name	4-hydroxybenzaldehyde
InChIKey	RGHHSNMVTDWUBI-UHFFFAOYSA-N
UNII (FDA)	O1738X3Y38
ChEBI ID	CHEBI:17597
FEMA number	3984
JECFA number	956

Computed Descriptors

Molecular Weight	122.12
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	122.036779430
Monoisotopic Mass	122.036779430
Topological Polar Surface Area	37.3
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	310
Boiling Point	310.00 to 311.00 °C. @ 760.00 mm Hg
Melting Point	117
Melting Point	117 °C
Solubility	8450
Solubility	8.45 mg/mL at 25 °C
LogP	1.35
Ionization Efficiency	1.13
Ionization Efficiency	2.7
Ionization Efficiency	MeCN (80%)

Physical description & handling notes

• Dry Powder
• Solid; Sublimes at atmospheric pressure without decomposition; [Merck Index] Light brown crystalline solid; [Aldrich MSDS]
• Solid
• Beige powder; vanillic/nutty odour
• slightly soluble in water; soluble in organic solvents
• freely soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Roast No safety concern at current levels of intake when used as a flavouring agent

Documented Uses

• Present in many plants in small amounts; [Merck Index] Used as flavoring agent or adjuvant; [FDA] Used to make pharmaceuticals; [Hawley]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• All Other Basic Organic Chemical Manufacturing
• Benzaldehyde, 4-hydroxy-: ACTIVE

Synonyms

4-hydroxybenzaldehyde; p-Hydroxybenzaldehyde; 123-08-0; 4-Formylphenol; p-Formylphenol; Benzaldehyde, 4-hydroxy-; p-Oxybenzaldehyde; Parahydroxybenzaldehyde; FEMA NO. 3984; Para-Hydroxybenzaldehyde; NSC-2127; O1738X3Y38; DTXSID8059552; CHEBI:17597; RefChem:99272; DTXCID7033787

Frequently Asked Questions

What are the CAS number and molecular formula of 4-Hydroxy benzaldehyde?

CAS 123-08-0; molecular formula C7H6O2; molecular weight 122.04 g/mol.

What other names is 4-Hydroxy benzaldehyde known by?

4-hydroxybenzaldehyde, p-Hydroxybenzaldehyde, 123-08-0, 4-Formylphenol, p-Formylphenol, Benzaldehyde, 4-hydroxy-.

What is the regulatory status of 4-Hydroxy benzaldehyde?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

What are the key physical properties of 4-Hydroxy benzaldehyde?

Boiling Point: 310; Boiling Point: 310.00 to 311.00 °C. @ 760.00 mm Hg; Melting Point: 117; Melting Point: 117 °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.