2'-methoxyacetophenone

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IUPAC name :

1-(2-methoxyphenyl)ethanone

InChI :

InChI=1/C9H10O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1-2H3

InChIKey :

DWPLEOPKBWNPQV-UHFFFAOYAB

SMILES :

CC(=O)C1=CC=CC=C1OC

(EINECS) number :	209-446-2
cas number :	579-74-8
beilstein number :	1100602
fema number :	4163
fl. number :	07.254
molar refractivity :	42.95 ± 0.3 cm3
parachor :	349.1 ± 4.0 cm3
index of refraction :	1.504 ± 0.02
surface tension :	33.6 ± 3.0 dyne/cm
density :	1.035 ± 0.06 g/cm3
polarizability :	17.03 ± 0.5 10-24cm3
xlogp :	1.80
molecular weight :	150.1745000
formula :	C9 H10 O2
BioActivity Analysis :	85285

fda reg :

unspecified

h. number :

2914.50.2000

organoleptics :

odor type :

anisic

odor strength :

medium ,
recommend smelling in a 1.00 % solution or less

odor description¹ :
at 1.00 % in propylene glycol.

powdery anisic almond phenolic

taste description² :

at 30.00 ppm in water.
powdery musty anisic almond

substantivity :

6 hour(s) at 100.00 %

properties :

appearence :

colorless to pale yellow clear liquid

assay :

99.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.08900 - 1.09200 @ 25.00 °C.

pounds per gallon - calc. :

9.062 to 9.087

refractive index :

1.54000 @ 20.00 °C.

boiling point :

245.00 - 248.00 °C. @ 760.00 mm Hg

logp :

1.82

safety :

most important hazard(s) :

Xn - Harmful.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

228.00 °F. TCC ( 108.89 °C. )

recommendation for 2'-methoxyacetophenone usage levels up to :

1.0000 % in the fragrance concentrate.

Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).

publication number : 22.

4163

average usual ppm

average maximum ppm

baked goods :

10.00000

50.00000

beverages(nonalcoholic) :

1.00000

10.00000

beverages(alcoholic) :

3.00000

30.00000

breakfast cereal :

cheese :

chewing gum :

30.00000

50.00000

condiments / relishes :

confectionery froastings :

5.00000

20.00000

egg products :

fats / oils :

fish products :

frozen dairy :

5.00000

20.00000

fruit ices :

1.00000

10.00000

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

10.00000

20.00000

imitation dairy :

instant coffee / tea :

5.00000

50.00000

jams / jellies :

1.00000

10.00000

meat products :

milk products :

5.00000

20.00000

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

snack foods :

soft candy :

5.00000

20.00000

soups :

sugar substitutes :

sweet sauces :

safety links :

(EINECS) number :

chemidplus :

epa-srs :

dtp/nci :

other :

references :

pubchem :

210601

NIST Chemistry WebBook :

3212012696

reference :

Luebke, William tgsc, (2006)¹

reference :

Luebke, William tgsc, (2006)²

synonyms :
2-	acetyl anisole
ortho-	acetyl anisole
2'-	methoxyacetophenone
ortho-	methoxyacetophenone
2-	methoxyphenyl methyl ketone
1-(2-	methoxyphenyl) ethan-1-one
	methyl 2-methoxyphenyl ketone
	methyl ortho-methoxyphenyl ketone
soluble in :
	alcohol
	propylene glycol
	water, 2110 mg/L @ 25C
insoluble in :
	water
(odor and/or flavor) used in :
	almond
	amber
	balsam
	hawthorn
	hay new mown hay foin coupe
	mimosa wattle
	spice
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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