para-anisyl methyl ketone
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :1-(4-methoxyphenyl)propan-2-one
InChI :InChI=1/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
InChIKey :WFWKNGZODAOLEO-UHFFFAOYAM
SMILES :CC(=O)CC1=CC=C(C=C1)OC
cas number :122-84-9
(EINECS) number :204-578-7
beilstein number :2044332
fema number :2674
coe number :11836
jecfa number :813
fl. number :07.087
molar refractivity :47.14 ± 0.3 cm3
parachor :385.3 ± 4.0 cm3
index of refraction :1.501 ± 0.02
surface tension :33.7 ± 3.0 dyne/cm
density :1.027 ± 0.06 g/cm3
polarizability :18.68 ± 0.5 10-24cm3
XlogP : 1.60
XlogP3 : 1.60
molecular weight : 164.2010800 (IUPAC)
formula :C10 H12 O2
BioActivity Analysis :84980
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515

Suppliers :
Penta :1-(para-methoxyphenyl)-2-propanone
Pfaltz & Bauer :p-Methoxyphenyl Acetone
98%
Sigma-Aldrich-SAFC :1-(p-Methoxyphenyl)-2-propanone
≥97%, Kosher
Odor:  caramel; creamy; vanilla
TCI AMERICA :4-Methoxyphenylacetone
>97.0%(GC)

organoleptics :
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
sweet fruity spicy anisic balsam

properties :
appearence :colorless clear oily liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05800 to 1.07200 @ 25.00 °C.
pounds per gallon - calc. : 8.804 to 8.920
refractive index :1.51600 to 1.52600 @ 20.00 °C.
boiling point : 145.00 °C. @ 25.00 mm Hg
boiling point : 265.00 to 267.00 °C. @ 760.00 mm Hg
flash point : 215.00  °F.  TCC  ( 101.67 °C. )
logP (o/w) : 1.35

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    3.33  ml/kg
(Levenstein, 1976f)

Intraperitoneal-Mouse    560.00  mg/kg
Journal of Pharmaceutical Sciences. Vol. 60, Pg. 799, 1971.

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 857, 1979.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.10 (μg/capita/day)
 
recommendation for para-anisyl methyl ketone usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for para-anisyl methyl ketone usage levels up to :
  15.0000 ppm in the flavor.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 1-(4-methoxyphenyl)propan-2-one
(EINECS) number :204-578-7
RTECS :UC2990000 for 122-84-9
chemidplus :000122849
EPA Substance Registry Services :122-84-9
dtp/nci :22983

references :
 1-(4-methoxyphenyl)propan-2-one
fl. number :07.087
jecfa number :813
NIST Chemistry WebBook :1338709283
pubchem :173266

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
para-acetonylanisole
 anise ketone
 anisic ketone
 anisyl ketone
 anisyl methyl ketone
1-(para-anisyl)-2-propanone
4-methoxybenzyl methyl ketone
para-methoxybenzyl methyl ketone
4-methoxyphenyl acetone
para-methoxyphenyl acetone
4'-methoxyphenyl-2-propanone
(para-methoxyphenyl)-2-propanone
1-(4-methoxyphenyl)-2-propanone
1-(para-methoxyphenyl)-2-propanone
1-(4-methoxyphenyl)propan-2-one

soluble in :
 alcohol
 water, very slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 acetanisole
 allyl benzoate
 allyl isovalerate
isoamyl acetate
isoamyl butyrate
isoamyl formate
 amyl furoate
(E)-anethol
 angelica seed oil
para-anisaldehyde
 anise indene
 anise oil
 anise oleoresin
 anise seed oil
 anise seed oil star
 anise seed oil star terpeneless
 anisole
para-anisyl acetate
para-anisyl methyl ketone
para-anisyl phenyl acetate
para-anisyl propanal
 anisyl propanal / methyl anthranilate schiff's base
 autumn carboxylate
 basil oil
 bay leaf oil terpeneless
 benzaldehyde
 benzoin resinoid
 benzyl acetate
 benzyl cinnamate
 benzyl formate
 benzyl isoeugenol
 benzyl methyl tiglate
 benzyl propionate
 benzyl salicylate
 berry hexanoate
isobutyl benzoate
isobutyl propionate
2-butyl-3-methyl pyrazine
 cadinadiene
 cascarilla bark oil
 cassia bark oil
 cinnamaldehyde
 cinnamon bark oil
 cinnamon leaf oil
 cinnamyl acetate
(E)-cinnamyl acetate
 cinnamyl alcohol
 cinnamyl propionate
 clausena anisata hook. f. leaf oil
 clove bud oil
 cyclohexyl cinnamate
 cyclohexyl formate
 cyclohexyl isovalerate
 decyl formate
 dehydro-ar-ionene
 dihydroanethol
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinyl butyrate
 ethyl acetate
 ethyl acetoacetate
4-ethyl anisole
 ethyl benzoate
 ethyl butyrate
 ethyl cinnamate
 ethyl formate
 ethyl heptanoate
 ethyl maltol
 ethyl nonanoate
 ethyl para-anisate
 ethyl phenyl acetate
 ethyl propionate
 ethyl salicylate
 ethyl sorbate
 ethyl valerate
 ethyl vanillin
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
 eugenol
 fennel absolute sweet
 fennel flower oil bitter lithuania
 fennel oleoresin sweet
 fennel seed oil
 fennel seed oil bitter lithuania
 floral nitrile
 frankincense absolute
 furfural acetone
 galangal root oleoresin
 geranium oil
 geranyl propionate
 grapefruit acetal
 hawthorn acetate
 heliotropin
 heliotropyl acetone
2-heptanone
 heptyl butyrate
 hexyl 3-mercaptobutanoate
2-hexylidene cyclopentanone
 ionones
 jasmin absolute
 lavender absolute
 lavender absolute france
 lemon oil
 linalyl isobutyrate
 mace oil CO2 extract
 maltol
2'-methoxyacetophenone
4-methyl biphenyl
 methyl cinnamate
 methyl ionones
 methyl para-anisate
 myrcene
 nonisyl acetate
 nutmeg absolute
 nutmeg extract CO2 west indian
 octanal diethyl acetal
 octyl heptanoate
 octyl hexanoate
 orange oil
 patchouli ethanone
 petitgrain oil
 phenethyl formate
 phenethyl isobutyrate
3-phenyl propionaldehyde
 pimento berry oil
 powdery ketone
 propyl 2-furan acrylate
 propyl acetate
 raspberry ketone
 rhodinyl formate
 rhodinyl isobutyrate
 rhodinyl isovalerate
 rose carboxylate
 sassafras acetate
 spicy acetoacetate
 strawberry glycidate 1
 styrax resinoid
 terpinyl butyrate
(E)-tiglic aldehyde
 tolu balsam oil
para-tolyl aldehyde
 tonka undecanone
 tricyclodecenyl isobutyrate
gamma-undecalactone
 vanillin
 woody octene

(odor and/or flavor) used in :
 cherry
 cinnamon
 fennel
 oral care agents
 tutti frutti
 vanilla

natural occurrence in :
data pageajowan seed oil turkey @ trace%
data pageanise seed oil colombia @ 0.04%
data pageanise seed oil star china @ 0.06%
anise star anise
cherry
fennel
data pagemangrove bark red oil cuba @ 0.40%



information only - not sold by The Good Scents Company.



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2009 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 11/15/2009