ChemicalBook CAS DataBase List 104-20-1

104-20-1

Name	4-(4-Methoxyphenyl)-2-butanone
CAS	104-20-1
EINECS(EC#)	203-184-2
Molecular Formula	C11H14O2
MDL Number	MFCD00008791
Molecular Weight	178.23
MOL File	104-20-1.mol

Synonyms

1-(4-METHOXYPHENYL)-3-BUTANONE 1-(P-METHOXYPHENYL)-3-BUTANONE 4-(4'-METHOXYPHENYL)-2-BUTANONE 4-(4-METHOXYPHENYL)-2-BUTANONE 4-(4-METHOXYPHENYL)BUTAN-2-ONE 4-ANISYLACETONE 4-METHOXYBENZYLACETONE 4-(PARA METHOXYPHENYL)-2-BUTANONE 4-(P-METHOXYPHENYL)-2-BUTANONE 4-(P-METHOXYPHENYL)-3-BUTAN-2-ONE 4-(P-METHOXYPHENYL) BUTANONE ANISALACETONE ANISYLACETONE BUTANONE, 4-(P-METHOXYPHENYL)-2- FEMA 2672 METHOXY PHENYL BUTANONE PARA ANISYL ACETONE P-METHOXY PHENYL BUTANONE 2-Butanone, 4-(p-methoxyphenyl)- 4-(4-

Chemical Properties

Appearance	clear colourless to pale yellow liquid
Melting point	8 °C (lit.)
Boiling point	152-153 °C/15 mmHg (lit.)
density	1.046 g/mL at 25 °C(lit.)
vapor pressure	9-2000Pa at 20-115℃
FEMA	2672
refractive index	n20/D 1.519(lit.)
Fp	>230 °F
storage temp.	Sealed in dry,Room Temperature
solubility	Chloroform (Slightly), Methanol (Slightly)
form	Oil
color	A colourless oily liquid with a sweet floral odour
Odor	at 100.00 %. sweet dried raspberry rose cherry fruity cassie absolute
biological source	synthetic
Odor Type	berry
Water Solubility	Not miscible in water.
JECFA Number	818
BRN	1869592
Cosmetics Ingredients Functions	PERFUMING FLAVOURING FRAGRANCE
InChI	1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
InChIKey	PCBSXBYCASFXTM-UHFFFAOYSA-N
SMILES	COc1ccc(CCC(C)=O)cc1
LogP	2 at 23.1℃
CAS DataBase Reference	104-20-1(CAS DataBase Reference)
NIST Chemistry Reference	2-Butanone, 4-(4-methoxyphenyl)-(104-20-1)
EPA Substance Registry System	104-20-1(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H315-H319-H335
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Hazard Codes	Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . S24/25:Avoid contact with skin and eyes . less more
WGK Germany	2
RTECS	EL9085500
TSCA	Yes
REACH Registrations	Active
HS Code	29145090
Storage Class	10 - Combustible liquids
Safety Profile	Low oral and skin toxicity. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes. less more
Toxicity	Both the acute oral LD₅₀ value in rats and the acute dermal LD₅₀ value in rabbits exceeded 5 g/kg (Russell, 1973) less more

Hazard Information

Description

4-(p-Methoxyphenyl)-2-butanone has an intensely sweet, floral, fruity odor and a cherry-raspberry flavor at low concentrations. May be prepared by condensing acetone with anisaldehyde to yield anisylidene acetone and subsequent hydrogenation in the presence of Pd catalyst.

Chemical Properties

4-(p-Methoxyphenyl)-2-butanone has an intensely sweet, floral,fruity odor and cherry–raspberry flavor at low concentrations.

Chemical Properties

clear colourless to pale yellow liquid

Occurrence

Contained (approximately 53% level) in the odorous principle obtained by extraction and hydrolysis from aloe wood (Aquilaria algallocha Roxb.) and in anise.

Uses

4-(4-Methoxyphenyl)-2-butanone is used as pharmaceutical intermediate.

Uses

In insect attractants, organic synthesis, flavoring.

Definition

ChEBI: 4-(4-Methoxyphenyl)-2-butanone is a member of methoxybenzenes.

Preparation

By condensing acetone with anisaldehyde to yield anisylidene acetone and subsequent hydrogenation in the presence of Pd catalyst.

Aroma threshold values

Aroma characteristics at 5.0%: sweet, fruity, woody, powdery, honey, vanilla, raspberry and ionone-like.

Taste threshold values

Taste characteristics at 40 ppm: floral, woody, ionone, raspberry, fruity, spice and berry.

Synthesis Reference(s)

Tetrahedron Letters, 33, p. 951, 1992 DOI: 10.1016/S0040-4039(00)91585-5

Material Safety Data Sheet(MSDS)

Spectrum Detail

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