4-(4-甲氧基苯基)丁-2-酮

Description

4-(p-Methoxyphenyl)-2-butanone is identified by CAS 104-20-1, molecular formula C11H14O2 and molecular weight 178.10 g/mol. UNII GVG47S4S5V; ChEBI 169538; InChIKey PCBSXBYCASFXTM-UHFFFAOYSA-N. Boiling Point: 152.00 to 153.00 °C. @ 15.00 mm Hg; Boiling Point: 277 °C; 150-152 °C (10 mm Hg); Melting Point: 9 - 10 °C.

Identification

CAS Registry Number	104-20-1
PubChem CID	61007
Molecular formula	C11H14O2
Molecular weight	178.10 g/mol
IUPAC name	4-(4-methoxyphenyl)butan-2-one
InChIKey	PCBSXBYCASFXTM-UHFFFAOYSA-N
UNII (FDA)	GVG47S4S5V
ChEBI ID	CHEBI:169538
FEMA number	2672
JECFA number	818

Computed Descriptors

Molecular Weight	178.23
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Topological Polar Surface Area	26.3
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	152.00 to 153.00 °C. @ 15.00 mm Hg
Boiling Point	277 °C; 150-152 °C (10 mm Hg)
Melting Point	9 - 10 °C
Density	1.041-1.050
Refractive Index	1.515-1.525

Physical description & handling notes

• Liquid
• colourless oily liquid with a sweet, fruity-floral odour
• very slightly
• insoluble in water, soluble in organic solvents, oils
• miscible at room temperature (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 Floral No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	99.7% (1567 / 1572)

GHS Hazard Classification

GHS notification summary	99.7% (1567 / 1572)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 2 consumer products that contain 4-(4-Methoxyphenyl)butan-2-one
 in the following categories is provided:
• 2-Butanone, 4-(4-methoxyphenyl)-: ACTIVE

Synonyms

4-(4-Methoxyphenyl)-2-butanone; Anisylacetone; 4-(4-Methoxyphenyl)butan-2-one; 2-BUTANONE, 4-(4-METHOXYPHENYL)-; 4-Methoxybenzylacetone; Raspberry ketone methyl ether; 4-(p-Methoxyphenyl)-2-butanone; 2-Butanone, 4-(p-methoxyphenyl)-; Anisylacetone, p-; Methyl oxanone; p-Methoxybenzylacetone; p-Methoxyphenylbutanone; 1-(4-Methoxyphenyl)-3-butanone; ANISYL ACETONE; Rasberry ketone methyl ether; FEMA No. 2672

Frequently Asked Questions

What are the CAS number and molecular formula of 4-(p-Methoxyphenyl)-2-butanone?

CAS 104-20-1; molecular formula C11H14O2; molecular weight 178.10 g/mol.

What other names is 4-(p-Methoxyphenyl)-2-butanone known by?

4-(4-Methoxyphenyl)-2-butanone, Anisylacetone, 4-(4-Methoxyphenyl)butan-2-one, 2-BUTANONE, 4-(4-METHOXYPHENYL)-, 4-Methoxybenzylacetone, Raspberry ketone methyl ether.

What is the regulatory status of 4-(p-Methoxyphenyl)-2-butanone?

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

Is 4-(p-Methoxyphenyl)-2-butanone classified as hazardous?

99.7% of GHS notifications report no hazard classification (1567 of 1572).

What are the key physical properties of 4-(p-Methoxyphenyl)-2-butanone?

Boiling Point: 152.00 to 153.00 °C. @ 15.00 mm Hg; Boiling Point: 277 °C; 150-152 °C (10 mm Hg); Melting Point: 9 - 10 °C; Density: 1.041-1.050.

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.