去氢-二香兰素

Description

Divanillin is identified by CAS 2092-49-1, molecular formula C16H14O6 and molecular weight 302.08 g/mol. UNII 29PYY1H4BT; ChEBI 86604; InChIKey NSTQUZVZBUTVPY-UHFFFAOYSA-N. Melting Point: 315.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	2092-49-1
PubChem CID	95086
Molecular formula	C16H14O6
Molecular weight	302.08 g/mol
IUPAC name	3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
InChIKey	NSTQUZVZBUTVPY-UHFFFAOYSA-N
UNII (FDA)	29PYY1H4BT
ChEBI ID	CHEBI:86604
FEMA number	4107
JECFA number	1881

Computed Descriptors

Molecular Weight	302.28
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	302.07903816
Monoisotopic Mass	302.07903816
Topological Polar Surface Area	93.1
Heavy Atom Count	22
Formal Charge	0

Physical & Chemical Properties

Melting Point	315.00 °C. @ 760.00 mm Hg

Physical description & handling notes

• White solid; Fruity vanilla aroma
• Practically insoluble to insoluble in water; soluble in benzyl alcohol
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents Fruit No safety concern at current levels of intake when used as a flavouring agent ">RS 952-JECFA 69/117

GHS Hazard Classification

Reported hazard statements	H302 (99.3%), H319 (100%)

Documented Uses

• Flavoring Agents -> JECFA Flavorings Index

Synonyms

2092-49-1; Dehydrodivanillin; Divanillin; 5,5'-Bivanillin; 3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde; [1,1'-Biphenyl]-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-; 29PYY1H4BT; NSC-16723; FEMA NO. 4107; 3,3'-Biphenyldicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-; DTXSID30862830; (1,1'-Biphenyl)-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-; RefChem:589868; DTXCID50811547; 6,6'-Dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehyde; MFCD00156888

Frequently Asked Questions

What are the CAS number and molecular formula of Divanillin?

CAS 2092-49-1; molecular formula C16H14O6; molecular weight 302.08 g/mol.

What other names is Divanillin known by?

2092-49-1, Dehydrodivanillin, Divanillin, 5,5'-Bivanillin, 3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde, [1,1'-Biphenyl]-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-.

What is the regulatory status of Divanillin?

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

Is Divanillin classified as hazardous?

Hazard statements reported: H302, H319.

What are the key physical properties of Divanillin?

Melting Point: 315.00 °C. @ 760.00 mm Hg.

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.