raspberry ketone methyl ether
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IUPAC name :4-(4-methoxyphenyl)butan-2-one
InChI :InChI=1/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
InChIKey :PCBSXBYCASFXTM-UHFFFAOYAE
SMILES :CC(=O)CCC1=CC=C(C=C1)OC
cas number :104-20-1
(EINECS) number :203-184-2
beilstein number :1869592
fema number :2672
coe number :163
jecfa number :818
fl. number :07.029
molar refractivity :51.77 ± 0.3 cm3
parachor :425.1 ± 4.0 cm3
index of refraction :1.498 ± 0.02
surface tension :33.7 ± 3.0 dyne/cm
density :1.010 ± 0.06 g/cm3
polarizability :20.52 ± 0.5 10-24cm3
XlogP : 1.80
molecular weight : 178.2276600 (IUPAC)
formula :C11 H14 O2
BioActivity Analysis :475449
NMR Predictor :Predict
 
 
export tariff code :2914.50.0000
fda reg :172.515

Suppliers :
Advanced Biotech :anisyl acetone
95% min. natural
Odor:  Cherry, Fruity, Raspberry
Advanced Biotech :anisyl acetone
98% min. synthetic
Odor:  Berry
Apple :Anisyl acetone
Berje :Methoxy Phenyl Butanone
Elan :methoxyphenyl butanone
FCC, Kosher
Fleurchem :anisyl acetone
natural
Frutarom :4-(PARA-METHOXYPHENYL)-2-BUTANONE
≥98.00%, NI, Kosher
Odor:  Bramble, Floral, Liqourice, Sweet
Moellhausen :raspberry ketone methylether
98% min. nature identical kosher
Odor:  fruity, aromatic, reminiscent of raspberry and blackberry
Flavor:  fruity, raspberry note
Penta :p-methoxy phenyl butanone
Penta :p-methoxy phenyl butanone
natural
Sigma-Aldrich-SAFC :4-(4-Methoxyphenyl)-2-butanone
≥98%, FCC, Kosher, FG
Odor:  cherry; floral; raspberry; sweet
Sigma-Aldrich-SAFC :4-(4-Methoxyphenyl)-2-butanone
natural, US, FCC, 98+%
Odor:  cherry; floral; raspberry; sweet
Symrise :Frambinon® methyl ether
Treatt :4-(para-Methoxyphenyl)-2-butanone
Vigon :Anisyl Acetone Para Methoxy Phenyl Butanone
FCC
Odor:  SWEET, FLORAL, FRUITY

organoleptics :
odor type :fruity
odor strength :medium
odor description :¹
at 100.00 %.  
sweet dried raspberry rose cherry fruity cassie absolute
odor sample from :Elan Chemical, Inc.
substantivity :324  Hour(s)

properties :
appearence :colorless to pale yellow clear oily liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.04200 to 1.04800 @ 25.00 °C.
pounds per gallon - calc. : 8.670 to 8.720
refractive index :1.51700 to 1.52100 @ 20.00 °C.
melting point : 8.00 °C. @ 760.00 mm Hg
boiling point : 152.00 to 153.00 °C. @ 15.00 mm Hg
boiling point : 276.00 to 278.00 °C. @ 760.00 mm Hg
vapor density :6.1 ( Air = 1 )
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 1.59
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg
(Russell, 1973f)

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 929, 1974.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :4.50 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :840.00 (μg/capita/day)
 
recommendation for raspberry ketone methyl ether usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for raspberry ketone methyl ether usage levels up to :
  40.0000 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...
msds :msds
EPI System :view
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 4-(4-methoxyphenyl)butan-2-one
(EINECS) number :203-184-2
RTECS :EL9085500 for 104-20-1
chemidplus :000104201
EPA Substance Registry Services :104-20-1
dtp/nci :405366

references :
 4-(4-methoxyphenyl)butan-2-one
fl. number :07.029
jecfa number :818
NIST Chemistry WebBook :156263908
pubchem :197229

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1987)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
synonyms :
 anisyl acetone
para-anisyl acetone
 bramble ketone
 frambinon methyl ether
4-methoxybenzyl acetone
para-methoxybenzyl acetone
 methoxyohenethyl methyl ketone
para-methoxyphenyl butanone
4-(4-methoxyphenyl) butan-2-one
4-(4-methoxyphenyl)-2-butanone
4-(para-methoxyphenyl)-2-butanone
1-(4-methoxyphenyl)-3-butanone
1-(para-methoxyphenyl)-3-butanone
4-(4-methoxyphenyl)butan-2-one
 methyl oxanone

soluble in :
 alcohol
 dipropylene glycol
 water, very slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 acetanisole
2-acetyl furan
 acetyl methyl anthranilate
 allyl amyl glycolate
 allyl cyclohexyl propionate
 amber formate
 ambrette seed oil
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
isoamyl salicylate
 amyris wood oil
ortho-anisaldehyde
para-anisaldehyde
para-anisaldehyde / methyl anthranilate schiff's base
 anise indene
 anise seed oil
para-anisyl acetate
para-anisyl alcohol
para-anisyl propanal
 anisyl propanal / methyl anthranilate schiff's base
 beeswax absolute
 benzoin resinoid
 benzophenone
 benzyl acetate
 benzyl cinnamate
 benzyl isobutyrate
 benzyl propionate
 bergamot oil
 berry hexanoate
 blood orange oil
 bois de rose oil
 boronia absolute
isobutyl benzoate
isobutyl cinnamate
isobutyl isovalerate
 butyl valerate
 campholene acetate
 caramel furanone
 cassia bark oil
 cherry oxyacetate
 cinnamyl alcohol
 citronellol
 clary sage oil
 clove bud oil
 clover nitrile
 cocoa butenal
 cocoa oleoresin
 cocoa pentenal
 conifer acetate
 coriander oleoresin
 coriander seed oil
para-cresyl propionaldehyde
 currant bud absolute black
 cyclohexadecanone
 cyclohexyl acetic acid
 cyclohexyl ethyl acetate
 cyclohexyl ethyl alcohol
beta-damascenone
alpha-damascone
beta-damascone
gamma-decalactone
2-decalinyl acetate
 decanol
9-decen-1-ol
N,N-diethyl octanamide
 dihydro-alpha-ionone
 dihydroactinidolide
 dimethyl alpha-ionone
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl isobutyrate
 dodecanol
 ethyl cinnamate
 ethyl heptanoate
 ethyl methyl-para-tolyl glycidate
 ethyl ortho-anisate
 ethyl phenyl acetate
 ethyl vanillin
 ethylene brassylate
isoeugenyl acetate
 fir balsam absolute
 fir carboxylate
 floral pyranol
 fusel oil
 geraniol
 geranyl butyrate
 geranyl phenyl acetate
 grapefruit pentanol
 green acetate
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotrope absolute
 heliotropin
 heliotropyl acetate
 heliotropyl acetone
 heliotropyl alcohol
gamma-heptalactone
 herbal undecanone
gamma-hexalactone
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl salicylate
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hexyl isovalerate
 hexyl pivalate
 hyacinth ether
 hydroxycitronellal
(E)-beta-ionone
beta-ionone
 ionones
beta-ionyl acetate
alpha-irone
 labdanum resinoid
 leerall
laevo-linalool
 linalool oxide
 linalool oxide acetates
 maltol
 melon nonenoate
2'-methoxyacetophenone
 methyl 2-methyl valerate
 methyl alpha-ionone
para-methyl anisole
alpha-methyl cinnamaldehyde
 methyl cinnamate
6-methyl coumarin
 methyl cyclogeranate
 methyl cyclopentenolone
 methyl dihydrojasmonate
 methyl heptine carbonate
para-methyl hydratropaldehyde
iso-alpha-methyl ionone
N-methyl ionone
alpha-isomethyl ionone (90% min.)
 methyl ionone gamma supreme
 methyl ionones
 methyl ionyl acetate
 methyl octine carbonate
2-methyl-2-pentenoic acid
 mimosa absolute
 mint lactone
 muguet carboxaldehyde
dextro,laevo-muscone
normuscone
 musk amberol
 musk indane
 musk tetralin
 musks
 myrtenyl isobutyrate
beta-naphthyl ethyl ether
beta-naphthyl methyl ether
 nerol
 nerolidol
 neryl isobutyrate
 nonanol
(Z)-6-nonen-1-al
 nonisyl acetate
 nutmeg oil
 ocean propanal
 octyl propionate
 orange oil
 orris pyridine
 orris root resinoid
 patchouli absolute
 peach pivalate
omega-pentadecalactone
 peony alcohol
 peru balsam oil
 petitgrain lemon oil
beta-sesquiphellandrene
 phenethyl acetate
 phenethyl isobutyrate
 phenethyl phenyl acetate
 phenethyl propionate
 phenoxyethyl isobutyrate
 phenyl acetic acid
3-phenyl propyl alcohol
3-phenyl propyl isovalerate
4-phenyl-2-butanol
 phthalide
 powdery ketone
 prenyl acetate
 propyl acetate
isopropyl phenyl acetate
 prune glycidate
 raspberry ketone
 raspberry ketone acetate
 rhodinol
 rhodinyl phenyl acetate
 rose butanoate
 rose oxides
 santall
(+)-alpha-santalyl acetate
 strawberry furanone
 strawberry glycidate 1
alpha-terpineol
 thioguaiacol
 timber propanol
 tobacco dodecane
 tolualdehydes (mixed o/m/p)
4-(para-tolyl)-2-butanone
 tonka bean absolute
2,3,5-trimethyl pyrazine
2,5,9-trimethyl-4,9-decadien-1-al
gamma-undecalactone
10-undecen-1-al
 vanilla absolute
 vanillic acid
 vanillyl acetate
 vanillylidene acetone
 verymoss
 vetiveryl acetate
 watermelon ketone
 woody acetate
 woody epoxide
 woody propanol
 ylang ylang oil

(odor and/or flavor) used in :
 angel
 apple crabapple
 apple red apple
 apricot
 banana
 bergamot
 blackberry
 blossom tropical blossom
 blueberry
 blueberry whortleberry red whortleberry
 bouquet
 boysenberry
 briar sweet briar eglantine
 butterscotch
 cabreuva
 candy cotton candy
 cassia
 cherry
 cherry black cherry
 cherry blossom
 chocolate cacao
 christmas blends
 chypre
 colonia
 cookie
 crabapple blossom
 cranberry
 cucumber
 currant
 daffodil narcissus
 fantasy blends
 fern fougere
 fetes
 fig
 fir balsam
 fir needle
 forest
 frangipanni plumeria
 freesia
 fruit dried fruit
 gardenia
 gooseberry
 grape
 heliotrope
 herbal
 hibiscus
 honeysuckle chevrefeuille
 hyacinth jacinthe
 jackfruit
 jam
 jasmin
 kiwi blossom
 licorice
 lilac lilas syringa
 lily
 linden blossom limeflower tilleul
 loganberry dewberry
 lychee soapberry
 magnolia
 mango
 mango blossom
 marshmallow
 meadow
 melon watermelon muskmelon cantaloupe
 moss
 muguet lily of the valley
 mulberry
 musk
 nectarine
 orange blossom fleur d'oranger
 pansy
 papaya
 passion blossom
 passion fruit
 peach
 peach blossom
 peony
 pineapple
 plum
 plum blossom
 pomegranate
 raspberry
 raspberry black raspberry
 redwood
 rose
 rose white rose
 rose wild rose
 starfruit
 stock evening scented stock
 strawberry
 sweet pea pois de senteur
 tobacco tabac tabaco
 toffee
 tropical
 tuberose tubereuse
 tutti frutti
 vanilla
 violet
 wallflower giroflee
 wistaria wisteria glycine
 woody

natural occurrence in :
aloe wood
anise seed



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