2-phenyl propionaldehyde ethylene glycol acetal
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IUPAC name :2-(1-phenylethyl)-1,3-dioxolane
InChI :InChI=1/C11H14O2/c1-9(11-12-7-8-13-11)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKey :SATZAQAJSHXNSJ-UHFFFAOYAS
SMILES :CC(C1OCCO1)C2=CC=CC=C2
cas number :4362-22-5
(EINECS) number :224-449-9
molar refractivity :50.84 ± 0.3 cm3
parachor :418.8 ± 4.0 cm3
index of refraction :1.523 ± 0.02
surface tension :40.1 ± 3.0 dyne/cm
density :1.071 ± 0.06 g/cm3
polarizability :20.15 ± 0.5 10-24cm3
XlogP : 2.00
XlogP3-AA : 2.20
molecular weight : 178.2276600 (IUPAC)
formula :C11 H14 O2
BioActivity Analysis :95043
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :unspecified
Suppliers :
Inoue :HYDRATROP ALDEHYDE EG ACETAL
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		floral green mushroom earth
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.06400 to 1.07200 @ 25.00 °C.
pounds per gallon - calc. : 8.854 to 8.920
specific gravity :1.06500 to 1.07300 @ 20.00 °C.
pounds per gallon - calc. : 8.872 to 8.939
refractive index :1.51500 to 1.51900 @ 20.00 °C.
boiling point : 249.00 to 250.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 1.81
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for 2-phenyl propionaldehyde ethylene glycol acetal fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for 2-phenyl propionaldehyde ethylene glycol acetal flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
2-(1-phenylethyl)-1,3-dioxolane
(EINECS) number :224-449-9
chemidplus :004362225
EPA Substance Registry Services :4362-22-5
dtp/nci :39437
references :
 
2-(1-phenylethyl)-1,3-dioxolane
NIST Chemistry WebBook :873137767
pubchem :675017
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
 acetophenone ethylene glycol cyclic acetal
 hydratropaldehyde ethylene glycol acetal
 hydratropic aldehyde cycloglycol acetal
 hydratropic aldehyde ethylene glycol acetal
2-(alpha-methyl benzyl)-1,3-dioxolane
2-(1-phenyl ethyl)-1,3-dioxolane
2-phenyl propionaldehyde ethylene glycol acetal
2-(1-phenylethyl)-1,3-dioxolane
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetalFL
2-acetyl-3-ethyl pyrazineFL
1-allyl-2,2,7,7-tetramethyl cycloheptanolFR
 amyl formateFL/FR
 bean pyrazineFL/FR
(E)-benzyl tiglateFL/FR
 bornyl formateFL/FR
alpha-butyl cinnamaldehydeFL/FR
 butyl laevo-lactateFL/FR
isobutyl quinolineFR
4-carvomenthenolFL/FR
alpha-caryophyllene alcoholFL/FR
beta-caryophyllene alcohol acetateFL/FR
 cinnamyl formateFL/FR
 citronellyl propionateFL/FR
 cumin acetaldehydeFL/FR
isocyclocitralFL/FR
 cypress oilFR
(E)-2-decen-1-alFL/FR
3-decen-2-oneFL/FR
 dehydrolinaloolFL/FR
 dihydro-alpha-iononeFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl dihydrocyclopentapyrazineFL
2,3-dimethyl quinoxalineFL
6,8-dimethyl-2-nonanolFR
 diphenyl disulfideFL
 dodecanolFL/FR
 earthy indaneFR
2-ethyl fenchol + arbanolFR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl-3-methoxypyrazineFL/FR
alpha-fencholFL/FR
 fennel seed oilFL/FR
 filbert pyrazineFL
 floral butanalFR
 galbanum oilFL/FR
 geosminFL/FR
 geranium absoluteFL/FR
 geranium oilFL/FR
 geranyl acetoneFL/FR
 germacrene B 
 grapefruit oil terpenelessFL/FR
 green pea pyrazineFL
 heptanal cyclic acetal with glycerolFL/FR
 herbal ketoneFR
 herbal pyranFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxymethyl hexyl ethyl ketoneFL/FR
 ivy dioxolaneFR
 jonquil absoluteFR
 lilac pentanolFL/FR
(Z)-linalool oxide (furanoid)FL/FR
 marine nitrileFR
 menthofuranFL/FR
2-methoxy-3-propyl pyrazineFL
 methyl 2-furoateFL/FR
 methyl 3-hexenoateFL/FR
2-methyl butyl isovalerateFL/FR
 methyl furfuryl mercaptopropionateFL
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
dextro,laevo-3-(methyl thio) butanoneFL
1-(methyl thio)-2-butanoneFL
 methyl undecylenateFL/FR
2-methyl-3,(5 or 6)-ethoxypyrazineFL
 mimosa absoluteFL/FR
 muscogeneFR
 neroli oilFL/FR
2-nonanoneFL/FR
1-nonen-3-olFL/FR
 nonyl octanoateFL/FR
 oakmoss absoluteFL/FR
(Z)-1,5-octadien-3-ol 
1,5-octadien-3-oneFL
1,8-octane dithiolFL
3-octanolFL/FR
(Z)-4-octen-1-olFL/FR
3-octen-2-oneFL/FR
1-octen-3-olFL/FR
1-octen-3-yl butyrateFL/FR
 octyl 2-furoateFL
isooctyl acetateFL/FR
 octyl isobutyrateFL/FR
 orange leaf absoluteFL/FR
 orris hexanoneFR
 patchouli indeneFR
(E)-2-penten-1-ol 
2-pentyl-1-buten-3-oneFL
 phenethyl furoateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
1-phenyl-2-pentanolFL/FR
 pine needle oil scotch siberiaFL/FR
 potato butanoneFL
 propionaldehydeFL
4-isopropyl quinolineFL/FR
 propylene glycol acetone ketalFL
 rose butanoateFL/FR
 spathulenol 
 sweet pea absoluteFR
 timber dioxolaneFR
2-tridecanoneFL/FR
2,3,5-trimethyl pyrazineFL
 tropical thiazoleFL/FR
 turmeric oleoresinFL
 vetiver oilFL/FR
potential uses :
 green
 herbal
 moss
 mushroom
 tropical
natural occurrence in :    note
 not found in nature  

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