2',4'-dimethyl acetophenone
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IUPAC name :1-(2,4-dimethylphenyl)ethanone
InChI :InChI=1/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3
InChIKey :HSDSKVWQTONQBJ-UHFFFAOYAA
SMILES :CC1=CC(=C(C=C1)C(=O)C)C
cas number :89-74-7
(EINECS) number :201-935-9
beilstein number :0956772
fema number :2387
coe number :157
jecfa number :809
fl. number :07.023
molar refractivity :45.93 ± 0.3 cm3
parachor :367.7 ± 4.0 cm3
index of refraction :1.510 ± 0.02
surface tension :32.9 ± 3.0 dyne/cm
density :0.965 ± 0.06 g/cm3
polarizability :18.20 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 148.2016800 (IUPAC)
formula :C10 H12 O
BioActivity Analysis :79241
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2914.30
fda reg :172.515
Suppliers :
Penta :2,4-dimethyl acetophenone
SAFC Global® :2',4'-Dimethylacetophenone
≥96%, Kosher
Odor:  woody; floral; sweet
organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		floral woody sweet mimosa minty
substantivity :400  Hour(s)
properties :
appearence :pale yellow clear oily liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99300 to 0.99600 @ 25.00 °C.
pounds per gallon - calc. : 8.263 to 8.288
refractive index :1.53300 to 1.53500 @ 20.00 °C.
boiling point : 117.00 to 118.00 °C. @ 18.00 mm Hg
boiling point : 110.00 °C. @ 13.00 mm Hg
flash point : 212.00  °F.  TCC  ( 100.00 °C. )
logP (o/w) : 2.59
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.24 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.01 (μg/capita/day)
 
recommendation for 2',4'-dimethyl acetophenone fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for 2',4'-dimethyl acetophenone flavor usage levels up to :
  3.0000 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
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
1-(2,4-dimethylphenyl)ethanone
(EINECS) number :201-935-9
chemidplus :000089747
EPA Substance Registry Services :89-74-7
dtp/nci :15333
references :
 
1-(2,4-dimethylphenyl)ethanone
fl. number :07.023
jecfa number :809
NIST Chemistry WebBook :3804694808
pubchem :149999
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 acetyl-meta-xylene
1-(2,4-dimethyl phenyl) ethanone
1-(2,4-dimethylphenyl)ethanone
 methyl 2,4-dimethyl phenyl ketone
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetanisoleFL/FR
 acetophenoneFL/FR
 acorn acetateFR
 amyl furoateFL/FR
(E)-anetholFL/FR
ortho-anisaldehydeFL/FR
para-anisaldehydeFL/FR
para-anisaldehyde / methyl anthranilate schiff's baseFR
para-anisaldehyde dimethyl acetalFL/FR
 anise indeneFR
 anise oilFL/FR
 anise oleoresinFL
 anise seed oilFL/FR
 anise seed oil starFL/FR
 anise seed oil star terpenelessFL/FR
 anisonitrileFR
para-anisyl acetaldehydeFL/FR
para-anisyl alcoholFL/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
 bergamot oil bergaptene freeFL/FR
 berry hexanoateFR
4-tert-butyl cyclohexane carboxaldehydeFR
isobutyl furyl propionateFL/FR
2-butyl-3-methyl pyrazineFL
 clausena anisata hook. f. leaf oil 
 dehydro-ar-ionene 
 dihydro-beta-ionolFL/FR
 dihydroanetholFL/FR
3',4'-dimethoxyacetophenoneFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 earthy indaneFR
para-ethyl acetophenoneCS
4-ethyl anisoleFL
 ethyl para-anisateFL/FR
 ethyl sorbateFL/FR
 fennel absolute sweetFL/FR
 fennel oleoresin sweetFL/FR
 floral nitrileFR
 freesia heptanolFL/FR
 green methanoindeneFR
 hawthorn acetateFR
 hawthorn carbinolFL/FR
 heliotropyl acetateFL/FR
(E)-2-hexen-1-yl salicylateFR
 ho wood oilFR
4'-hydroxyacetophenoneFL
 immortelle flower oilFR
(E)-beta-iononeFL/FR
alpha-iononeFL/FR
beta-iononeFL/FR
alpha-ironeFL/FR
 linaloe wood oil mexicoFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
(Z)-linalool oxide (furanoid)FL/FR
2'-methoxyacetophenoneFL/FR
 methyl acetophenoneFL/FR
 methyl beta-iononeFL/FR
(E)-beta-methyl iononeFL/FR
iso-alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
 methyl ionone gamma supremeFL/FR
 mimosa heptanalFR
 muhuhu wood oilFR
 myrcenyl acetateFL/FR
 orris absoluteFL/FR
 patchouli ethanoneFR
 peony alcoholFR
 petitgrain cedrat oilFL/FR
(R)-2-phenyl propyl alcoholFL/FR
3-phenyl propyl propionateFL/FR
4-phenyl-2-butanolFL/FR
 powdery ketoneFL
 propiophenoneFL/FR
 propyl 4-hydroxybenzoateFL/FR
isopropyl anthranilateFL/FR
 sandal octanolFR
 sassafras acetateFR
 spicy carbonateFR
 styralyl formateFL/FR
(E)-tiglic aldehydeFL/FR
 tropical iononeFL/FR
 vetiver pentanoneFR
 woody amyleneFR
 woody bouquet 
potential uses :
 cassie acacia farnesiana
 clover trefle le'trefle incarnat
 fern fougere
 hay new mown hay foin coupe
 mimosa wattle
 orchid
 reseda mignonette
natural occurrence in :    note
data pagecistus oil @ 0.2% S

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