para-anisyl methyl ketone
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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%
SAFC Global® :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
odor description:
Sweet, fruity spicy, with anisic balsamic nuances
Mosciano, Gerard P&F 15, No. 1, 19, (1990)
taste description:
at 15.00 ppm.  		Sweet spicy, with green anisic, minty nuances
Mosciano, Gerard P&F 15, No. 1, 19, (1990)
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 :
Category :flavor and fragrance agents
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 fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for para-anisyl methyl ketone flavor 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 cas# 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
RIFM :listed
FMA :listed
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
potential blenders :    note
 acetanisoleFL/FR
 allyl benzoateFR
 allyl isovalerateFL/FR
isoamyl acetateFL/FR
isoamyl butyrateFL/FR
isoamyl formateFL/FR
 amyl furoateFL/FR
(E)-anetholFL/FR
 angelica seed oilFL/FR
para-anisaldehydeFL/FR
 anise indeneFR
 anise oilFL/FR
 anise oleoresinFL
 anise seed oilFL/FR
 anise seed oil starFL/FR
 anise seed oil star terpenelessFL/FR
 anisoleFL/FR
para-anisyl acetateFL/FR
para-anisyl methyl ketoneFL/FR
para-anisyl phenyl acetateFL/FR
para-anisyl propanalFR
 anisyl propanal / methyl anthranilate schiff's baseFR
 autumn carboxylateFR
 basil oilFL/FR
 bay leaf oil terpenelessFL/FR
 benzaldehydeFL/FR
 benzoin resinoidFL/FR
 benzyl acetateFL/FR
 benzyl cinnamateFL/FR
 benzyl formateFL/FR
 benzyl isoeugenolFL/FR
 benzyl methyl tiglateFL
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 berry hexanoateFR
isobutyl benzoateFL/FR
isobutyl propionateFL/FR
2-butyl-3-methyl pyrazineFL
 cadinadiene 
 cascarilla bark oilFL/FR
 cassia bark oilFL/FR
 cinnamaldehydeFL/FR
 cinnamon bark oilFL/FR
 cinnamon leaf oilFL/FR
 cinnamyl acetateFL/FR
(E)-cinnamyl acetateFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl propionateFL/FR
 clausena anisata hook. f. leaf oil 
 clove bud oilFL/FR
 cyclohexyl cinnamateFL/FR
 cyclohexyl formateFL/FR
 cyclohexyl isovalerateFL/FR
 decyl formateFR
 dehydro-ar-ionene 
 dihydroanetholFL/FR
 dihydrojasmoneFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl acetateFL/FR
 ethyl acetoacetateFL/FR
4-ethyl anisoleFL
 ethyl benzoateFL/FR
 ethyl butyrateFL/FR
 ethyl cinnamateFL/FR
 ethyl formateFL/FR
 ethyl heptanoateFL/FR
 ethyl maltolFL/FR
 ethyl nonanoateFL/FR
 ethyl para-anisateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl propionateFL/FR
 ethyl salicylateFL/FR
 ethyl sorbateFL/FR
 ethyl valerateFL/FR
 ethyl vanillinFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
 eugenolFL/FR
 fennel absolute sweetFL/FR
 fennel flower oil bitter lithuania 
 fennel oleoresin sweetFL/FR
 fennel seed oilFL/FR
 fennel seed oil bitter lithuaniaCS
 floral nitrileFR
 frankincense absoluteFL/FR
 furfural acetoneFL
 galangal root oleoresinFL
 geranium oilFL/FR
 geranyl propionateFL/FR
 grapefruit acetalFR
 hawthorn acetateFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
2-heptanoneFL/FR
 heptyl butyrateFL/FR
 hexyl 3-mercaptobutanoateFL
2-hexylidene cyclopentanoneFL/FR
 ionones 
 jasmin absoluteFL/FR
 lavender absoluteFL/FR
 lavender absolute franceFL/FR
 lemon oilFL/FR
 linalyl isobutyrateFL/FR
 mace oil CO2 extractFL/FR
 maltolFL/FR
2'-methoxyacetophenoneFL/FR
4-methyl biphenylFL
 methyl cinnamateFL/FR
 methyl ionones 
 methyl para-anisateFL/FR
 myrceneFL/FR
 nonisyl acetateFR
 nutmeg absoluteFL/FR
 nutmeg extract CO2 west indianFL/FR
 octanal diethyl acetalFL/FR
 octyl heptanoateFL/FR
 octyl hexanoateFL/FR
 orange oilFL/FR
 patchouli ethanoneFR
 petitgrain oilFL/FR
 phenethyl formateFL/FR
 phenethyl isobutyrateFL/FR
3-phenyl propionaldehydeFL/FR
 pimento berry oilFL/FR
 powdery ketoneFL
 propyl 2-furan acrylateFL/FR
 propyl acetateFL/FR
 raspberry ketoneFL/FR
 rhodinyl formateFL/FR
 rhodinyl isobutyrateFL/FR
 rhodinyl isovalerateFL/FR
 rose carboxylateFR
 sassafras acetateFR
 spicy acetoacetateFL/FR
 strawberry glycidate 1FL/FR
 styrax resinoidFL
 terpinyl butyrateFL/FR
(E)-tiglic aldehydeFL/FR
 tolu balsam oilFL/FR
para-tolyl aldehydeFL/FR
 tonka undecanoneFR
 tricyclodecenyl isobutyrateFR
gamma-undecalactoneFL/FR
 vanillinFL/FR
 woody octeneFR
potential uses :
 cherry
 cinnamon
 fennel
 oral care agents
 tutti frutti
 vanilla
natural occurrence in :    note
data pageajowan seed oil turkey @ trace% S
data pageanise seed oil colombia @ 0.04% S
data pageanise seed oil star china @ 0.06% S
 anise star anise S
 cherry  
 fennel  
data pagemangrove bark red oil cuba @ 0.40% S

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