3',4'-dimethoxyacetophenone
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IUPAC name :1-(3,4-dimethoxyphenyl)ethanone
InChI :InChI=1/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3
InChIKey :IQZLUWLMQNGTIW-UHFFFAOYAO
SMILES :CC(=O)C1=CC(=C(C=C1)OC)OC
cas number :1131-62-0
(EINECS) number :214-468-0
beilstein number :0781213
molar refractivity :49.63 ± 0.3 cm3
parachor :405.7 ± 4.0 cm3
index of refraction :1.499 ± 0.02
surface tension :33.2 ± 3.0 dyne/cm
density :1.066 ± 0.06 g/cm3
polarizability :19.67 ± 0.5 10-24cm3
XlogP : 1.40
molecular weight : 180.2004800
formula :C10 H12 O3
BioActivity Analysis :81722
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Sigma-Aldrich-SAFC :3',4'-Dimethoxyacetophenone
≥98%
Odor:  woody; floral; sweet

organoleptics :
odor type :woody
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
sweet woody floral

properties :
appearence :white to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
refractive index :1.54300 @ 20.00 °C.
melting point : 49.00 to 51.00 °C. @ 760.00 mm Hg
boiling point : 286.00 to 288.00 °C. @ 760.00 mm Hg
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 1.32

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for 3',4'-dimethoxyacetophenone usage levels up to :
  0.5000 % in the fragrance concentrate.

safety references :
EPI System :view
Env. Mutagen Info. Center :Search
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 1-(3,4-dimethoxyphenyl)ethanone
(EINECS) number :214-468-0
chemidplus :001131620
EPA Substance Registry Services :1131-62-0
dtp/nci :18708

references :
 1-(3,4-dimethoxyphenyl)ethanone
NIST Chemistry WebBook :820947878
pubchem :157614

other :
synonyms :
3,4-dimethoxyphenyl methyl ketone
1-(3,4-dimethoxyphenyl) ethan-1-one
1-(3,4-dimethoxyphenyl)ethanone

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 bergamot oil bergaptene free
4-tert-butyl cyclohexane carboxaldehyde
isobutyl furyl propionate
 dihydro-beta-ionol
2',4'-dimethyl acetophenone
2,4-dimethyl cyclohexyl methyl acetate
 freesia heptanol
 green methanoindene
(E)-2-hexen-1-yl salicylate
 ho wood oil
 immortelle flower oil
(E)-beta-ionone
alpha-ionone
beta-ionone
alpha-irone
 linaloe wood oil mexico
laevo-linalool
 linalool oxide
(Z)-linalool oxide (furanoid)
 methyl beta-ionone
(E)-beta-methyl ionone
iso-alpha-methyl ionone
(E)-alpha-methyl ionone (50-60%)
 methyl ionone gamma supreme
 muhuhu wood oil
 myrcenyl acetate
 orris absolute
 patchouli ethanone
 petitgrain cedrat oil
 sandal octanol
 spicy carbonate
 styralyl formate
 tropical ionone
 vetiver pentanone
 woody amylene

(odor and/or flavor) used in :
 amber
 balsam
 floral
 woody

natural occurrence in :
not found in nature



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