para-ethyl acetophenone
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IUPAC name :1-(4-ethylphenyl)ethanone
InChI :InChI=1/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3
InChIKey :NODGRWCMFMEGJH-UHFFFAOYAX
SMILES :CCC1=CC=C(C=C1)C(=O)C
cas number :937-30-4
(EINECS) number :213-326-5
molar refractivity :45.83 ± 0.3 cm3
parachor :369.0 ± 4.0 cm3
index of refraction :1.507 ± 0.02
surface tension :33.1 ± 3.0 dyne/cm
density :0.963 ± 0.06 g/cm3
polarizability :18.16 ± 0.5 10-24cm3
XlogP : 2.80
molecular weight : 148.2016800
formula :C10 H12 O
BioActivity Analysis :72728
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Sigma-Aldrich-Aldrich :p-Ethyl acetophenone

organoleptics :
odor type :floral
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
floral hawthorn

properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99300 @ 25.00 °C.
refractive index :1.52930 @ 20.00 °C.
melting point : -20.60 °C. @ 760.00 mm Hg
boiling point : 125.00 °C. @ 20.00 mm Hg
boiling point : 239.00 to 240.00 °C. @ 760.00 mm Hg
vapor pressure :0.91400 mm/Hg @ 25.00 °C.
flash point : 195.00  °F.  TCC  ( 90.56 °C. )
logP (o/w) : 2.71

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 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for para-ethyl acetophenone usage levels up to :
  3.0000 % in the fragrance concentrate.

safety references :
EPI System :view
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 1-(4-ethylphenyl)ethanone
(EINECS) number :213-326-5
chemidplus :000937304
EPA Substance Registry Services :937-30-4
dtp/nci :6768

references :
 1-(4-ethylphenyl)ethanone
NIST Chemistry WebBook :389279868
pubchem :156982

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
para-acetyl ethyl benzene
4-ethyl acetophenone
para-ethyl phenyl methyl ketone
1-(4-ethyl phenyl) ethanone
4-ethylacetophenone
para-ethylacetophenone
1-(4-ethylphenyl)ethanone

soluble in :
 alcohol
 water, 373 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
 acetanisole
 acetophenone
 acetyl methyl anthranilate
 acorn acetate
 amber formate
 ambrette seed oil
 amyl furoate
(E)-anethol
ortho-anisaldehyde
para-anisaldehyde
para-anisaldehyde / methyl anthranilate schiff's base
para-anisaldehyde dimethyl acetal
 anise indene
 anise oil
 anise oleoresin
 anise seed oil
 anise seed oil star
 anise seed oil star terpeneless
 anisonitrile
para-anisyl acetaldehyde
para-anisyl acetate
para-anisyl alcohol
para-anisyl methyl ketone
para-anisyl phenyl acetate
para-anisyl propanal
 anisyl propanal / methyl anthranilate schiff's base
 autumn carboxylate
 basil oil
 benzophenone
 berry hexanoate
isobutyl benzoate
2-butyl-3-methyl pyrazine
 cherry oxyacetate
 cinnamyl alcohol
 cocoa butenal
 cocoa oleoresin
 cocoa pentenal
 cyclohexadecanone
 cyclohexyl acetic acid
 dehydro-ar-ionene
 dihydroanethol
 dimethyl alpha-ionone
 dimethyl anthranilate
 earthy indane
4-ethyl anisole
 ethyl cinnamate
 ethyl methyl-para-tolyl glycidate
 ethyl para-anisate
 ethyl sorbate
 ethylene brassylate
 fennel absolute sweet
 fennel flower oil bitter lithuania
 fennel seed oil bitter lithuania
 floral nitrile
 geranyl phenyl acetate
 guaiacwood oil
 hawthorn acetate
 hawthorn carbinol
 heliotropin
 heliotropyl acetate
 heliotropyl alcohol
4'-hydroxyacetophenone
(E)-beta-ionone
pseudoionone
alpha-irone
2'-methoxyacetophenone
 methyl acetophenone
2'-methyl acetophenone
 methyl alpha-ionone
para-methyl anisole
 methyl benzoxole
6-methyl coumarin
para-methyl hydratropaldehyde
iso-alpha-methyl ionone
alpha-isomethyl ionone (90% min.)
 methyl ionone gamma supreme
 methyl ionyl acetate
 mint lactone
dextro,laevo-muscone
normuscone
 musk amberol
 musk indane
 musk tetralin
beta-naphthyl ethyl ether
 orris root resinoid
 patchouli ethanone
 peach pivalate
omega-pentadecalactone
 peru balsam oil
1-phenethyl mercaptan
 phenoxyethyl isobutyrate
(R)-2-phenyl propyl alcohol
 phthalide
 powdery ketone
 propiophenone
 propyl 4-hydroxybenzoate
isopropyl anthranilate
isopropyl phenyl acetate
 rhodinol
 rhodinyl phenyl acetate
(+)-alpha-santalyl acetate
 sassafras acetate
 thioguaiacol
(E)-tiglic aldehyde
 timber propanol
 tolualdehydes (mixed o/m/p)
2,3,5-trimethyl pyrazine
2,5,9-trimethyl-4,9-decadien-1-al
 vanillic acid
 vanillyl acetate
 vanillylidene acetone
 vetiveryl acetate
 woody epoxide

(odor and/or flavor) used in :
 floral
 hawthorn
 heather
 mimosa wattle
 moss

natural occurrence in :
not found in nature



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