Zingerone

Description

Zingerone is identified by CAS 122-48-5, molecular formula C11H14O3 and molecular weight 194.09 g/mol. UNII 4MMW850892; ChEBI 68657; InChIKey OJYLAHXKWMRDGS-UHFFFAOYSA-N. Boiling Point: 187-188 °C @ 14 mm Hg; Boiling Point: 141.00 to 0.50 °C. @ 0.00 mm Hg; Boiling Point: 187-188 °C (14 mm Hg).

Identification

CAS Registry Number	122-48-5
PubChem CID	31211
Molecular formula	C11H14O3
Molecular weight	194.09 g/mol
IUPAC name	4-(4-hydroxy-3-methoxyphenyl)butan-2-one
InChIKey	OJYLAHXKWMRDGS-UHFFFAOYSA-N
UNII (FDA)	4MMW850892
ChEBI ID	CHEBI:68657
FEMA number	3124
JECFA number	730

Computed Descriptors

Molecular Weight	194.23
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	194.094294304
Monoisotopic Mass	194.094294304
Topological Polar Surface Area	46.5
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Boiling Point	187-188 °C @ 14 mm Hg
Boiling Point	141.00 to 0.50 °C. @ 0.00 mm Hg
Boiling Point	187-188 °C (14 mm Hg)
Melting Point	40.5 °C
Melting Point	41 °C
Flash Point	APPROX 102 °C
Density	1.138-1.139 @ 25 °C

Physical description & handling notes

• Solid with a spicy pungent odor like ginger; [Merck Index] Commercial substance: Yellowish liquid; [HSDB] Solid; [MSDSonline]
• Solid
• Yellowish to yellow-brown crystalline mass, sweet, spicy, warm, heavy floral, mildly animal balsamic, vanilla like odour
• Crystals from acetone, petroleum ether, ether plus petroleum ether
• STRONG, PUNGENT ODOR REMINISCENT OF GINGER
• SWEET, SPICY AROMA

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Heat No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	99.4% (1413 / 1421)

GHS Hazard Classification

GHS notification summary	99.4% (1413 / 1421)

Documented Uses

• Obtained from ginger root or prepared from vanillin and acetone; Used in fragrances, flavors, cosmetics, and spice oils; [Merck Index]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Isolated from ginger root or prepared from vanillin and acetone followed by catalytic hydrogenation: Nomura, J Chem Soc 111, 769 (1917); Nomura, US patents 1,263,796 (1918), 1,306,710 (1919); Cotton, US patent 2,381,210 (1945 to Penn Coal Prod Co).
• 2-Butanone, 4-(4-hydroxy-3-methoxyphenyl)-: ACTIVE
• FEMA NUMBER 3124; IT IS USED IN NON-ALCOHOLIC BEVERAGES (6.9 PPM); ICE CREAM, ICES, ETC (7.8 PPM); CANDY (11 PPM); BAKED GOODS (11 PPM); CHEWING GUM (15 PPM).

Synonyms

ZINGERONE; Vanillylacetone; 122-48-5; 4-(4-Hydroxy-3-methoxyphenyl)butan-2-one; Zingiberone; 4-(4-Hydroxy-3-methoxyphenyl)-2-butanone; Zingherone; Gingerone; Vanillyl acetone; 2-Butanone, 4-(4-hydroxy-3-methoxyphenyl)-; [0]-Paradol; 4-Hydroxy-3-methoxybenzylacetone; 3-Methoxy-4-hydroxybenzylacetone; (4-Hydroxy-3-methoxyphenyl)ethyl methyl ketone; (0)-Paradol; 4-(3-Methoxy-4-hydroxyphenyl)-2-butanone

Frequently Asked Questions

What are the CAS number and molecular formula of Zingerone?

CAS 122-48-5; molecular formula C11H14O3; molecular weight 194.09 g/mol.

What other names is Zingerone known by?

ZINGERONE, Vanillylacetone, 122-48-5, 4-(4-Hydroxy-3-methoxyphenyl)butan-2-one, Zingiberone, 4-(4-Hydroxy-3-methoxyphenyl)-2-butanone.

What is the regulatory status of Zingerone?

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

Is Zingerone classified as hazardous?

99.4% of GHS notifications report no hazard classification (1413 of 1421).

What are the key physical properties of Zingerone?

Boiling Point: 187-188 °C @ 14 mm Hg; Boiling Point: 141.00 to 0.50 °C. @ 0.00 mm Hg; Boiling Point: 187-188 °C (14 mm Hg); Melting Point: 40.5 °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.