alpha,alpha-dimethyl anisyl acetone
Suppliers  organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
InChI :InChI=1/C13H16O2/c1-10(2)13(14)9-6-11-4-7-12(15-3)8-5-11/h4-10H,1-3H3
InChIKey :ZIXVMEYRFPMOAV-UHFFFAOYAQ
SMILES :CC(C)C(=O)C=CC1=CC=C(C=C1)OC
cas number :103-13-9
fema number :3760
coe number :719
jecfa number :829
fl. number :07.049
molar refractivity :62.70 ± 0.3 cm3
parachor :488.7 ± 4.0 cm3
index of refraction :1.534 ± 0.02
surface tension :34.6 ± 3.0 dyne/cm
density :1.014 ± 0.06 g/cm3
polarizability :24.85 ± 0.5 10-24cm3
XlogP : 2.60
molecular weight : 204.2649400 (IUPAC)
formula :C13 H16 O2
BioActivity Analysis :505419
NMR Predictor :Predict
 
 
IUPAC name :(E)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
InChI :InChI=1/C13H16O2/c1-10(2)13(14)9-6-11-4-7-12(15-3)8-5-11/h4-10H,1-3H3/b9-6+
InChIKey :ZIXVMEYRFPMOAV-RMKNXTFCBW
SMILES :CC(C)C(=O)\C=C\C1=CC=C(C=C1)OC
cas number :103-13-9  (E)
molar refractivity :62.70 ± 0.3 cm3
parachor :488.7 ± 4.0 cm3
index of refraction :1.534 ± 0.02
surface tension :34.6 ± 3.0 dyne/cm
density :1.014 ± 0.06 g/cm3
polarizability :24.85 ± 0.5 10-24cm3
XlogP : 2.60
molecular weight : 204.2649400 (IUPAC)
formula :C13 H16 O2
NMR Predictor :Predict
 
 
IUPAC name :(Z)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
InChI :InChI=1/C13H16O2/c1-10(2)13(14)9-6-11-4-7-12(15-3)8-5-11/h4-10H,1-3H3/b9-6-
InChIKey :ZIXVMEYRFPMOAV-TWGQIWQCBE
SMILES :CC(C)C(=O)\C=C/C1=CC=C(C=C1)OC
cas number :103-13-9  (Z)
molar refractivity :62.70 ± 0.3 cm3
parachor :488.7 ± 4.0 cm3
index of refraction :1.534 ± 0.02
surface tension :34.6 ± 3.0 dyne/cm
density :1.014 ± 0.06 g/cm3
polarizability :24.85 ± 0.5 10-24cm3
XlogP : 2.60
molecular weight : 204.2649400 (IUPAC)
formula :C13 H16 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Sigma-Aldrich-Aldrich :1-(4-Methoxyphenyl)-4-methyl-1-penten-3-one
If you get a cover box over Sigma-aldrich web page, click here to set your country of origin.
organoleptics :
odor type :caramellic
odor strength :low ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		caramel fruity buttery
properties :
appearence :colorless clear oily liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.01600 to 1.02600 @ 25.00 °C.
pounds per gallon - calc. : 8.454 to 8.537
refractive index :1.51000 to 1.51500 @ 20.00 °C.
melting point : 28.00 °C. @ 760.00 mm Hg
boiling point : 217.00 to 219.00 °C. @ 40.00 mm Hg
boiling point : 201.00 °C. @ 10.00 mm Hg
flash point : 302.00  °F.  TCC  ( 150.00 °C. )
logP (o/w) : 3.00
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for alpha,alpha-dimethyl anisyl acetone fragrance usage levels up to :
  0.2000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
chemidplus :000103139
EPA Substance Registry Services :103-13-9
dtp/nci :651746
 
(E)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
 
(Z)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
references :
 
1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
fl. number :07.049
jecfa number :829
pubchem :505419
 
(E)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
pubchem :10426697
 
(Z)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
pubchem :197224
other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
homoethone
1-(4-methoxyphenyl)-4-methyl-1-penten-3-one
1-(para-methoxyphenyl)-4-methyl-1-penten-3-one
1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
para-methoxystyryl isopropyl ketone
isopropyl 4-methoxystyryl ketone
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
potential blenders :    note
 acetoinFL/FR
 acetoin acetateFL/FR
2-acetyl furanFL/FR
 acetyl isobutyrylFL/FR
 acetyl propionylFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3,4,5,6-tetrahydropyridineFL
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
 allyl 2-furoateFL
isoamyl 3-(2-furan) propionateFL/FR
 benzyl disulfideFL
 butyl levulinateFL/FR
 butyl octanoateFL/FR
2-oxobutyric acidFL
 butyroinFL
gamma-butyrolactoneFL/FR
 caramel dioneFL
 caramel furanoneFL
 caramel pentadioneFL/FR
 cinnamyl benzoateFL/FR
 coffee furanoneFL
 cyclohexyl acetic acidFL
gamma-decalactoneFL/FR
6-decenoic acidFL
 diacetylFL
 diacetyl trimerFL
2,5-diethyl tetrahydrofuranFL
2,3-dimethyl pyrazineFL/FR
delta-dodecalactoneFL/FR
 ethyl (E)-crotonateFL/FR
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl cyclopentenoloneFL/FR
 ethyl lactateFL/FR
 ethyl maltolFL/FR
2-ethyl pyrazineFL/FR
 ethyl pyruvateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl undecanoateFL/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
 fenugreek absoluteFL/FR
 furfuryl acetoneFL
 furfuryl alcoholFL
 furfuryl octanoateFL
 furfuryl valerateFL
 geranyl crotonateFR
gamma-heptalactoneFL/FR
2,3-heptane dioneFL/FR
3,4-hexane dioneFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
5-hydroxymethyl furfuralFL
 immortelle absoluteFL/FR
 jasmin pyranoneFL/FR
 levulinic acidFL
 linalyl butyrateFL/FR
 maltolFL/FR
 maltyl propionateFL/FR
 mango furanoneFL
 maple furanoneFL/FR
 maple lactoneFL/FR
 menthone lactoneFL/FR
 mesitene lactoneFR
3-methyl butyl 2-furyl butyrateFL
 methyl cyclopentenoloneFL/FR
5-methyl furfuralFL/FR
3-(methyl thio) hexanalFL
4-methyl-2,6-dimethoxyphenolFL/FR
gamma-nonalactoneFL/FR
 nutty cyclohexenoneFL/FR
 peanut oxazoleFL
2-pentanoyl furanFL
(E)-2-pentenoic acidFL
 prenyl isobutyrateFL/FR
 rosefuranFL/FR
 shoyu furanoneFL/FR
 sodium 4-methyl-2-oxovalerateFL
dextro-sorbitolCS
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
dextro,laevo-tartaric acidFL
 tetrahydrofurfuryl acetateFL/FR
 tetrahydrofurfuryl alcoholFL/FR
3-tetrahydrothiophenoneFL
2-thiophene thiolFL
(E)-tiglic acidFL/FR
 toffee furanoneFL/FR
 tonka bean absoluteFR
 tonka bean resinoidFR
(E,E)-2,4-undecadien-1-alFL
2,4-undecadien-1-alFL
isovaleraldehyde propylene glycol acetalFL/FR
 vanilla oleoresinFL/FR
 vanillyl isobutyrateFL/FR
potential uses :
 butter
 butterscotch
 caramel
natural occurrence in :    note
 not found in nature  

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 © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 02/21/2010