isoeugenyl ethyl acetal
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Notes :
Isoeugenol replacer. Gives outstanding spicy carnation notes.
 
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IUPAC name :1-(1-ethoxyethoxy)-2-methoxy-4-[(E)-prop-1-enyl]benzene
InChI :InChI=1/C14H20O3/c1-5-7-12-8-9-13(14(10-12)15-4)17-11(3)16-6-2/h5,7-11H,6H2,1-4H3/b7-5+
InChIKey :JLSRPGJKIAJORX-FNORWQNLBD
SMILES :CCOC(C)OC1=C(C=C(C=C1)\C=C\C)OC
cas number :84029-92-5
(EINECS) number :281-763-9
molar refractivity :71.10 ± 0.3 cm3
parachor :559.9 ± 4.0 cm3
index of refraction :1.517 ± 0.02
surface tension :32.4 ± 3.0 dyne/cm
density :1.006 ± 0.06 g/cm3
polarizability :28.18 ± 0.5 10-24cm3
XlogP : 3.90
XlogP3-AA : 3.20
molecular weight : 236.3068000 (IUPAC)
formula :C14 H20 O3
NMR Predictor :Predict
 
 
IUPAC name :1-(1-ethoxyethoxy)-2-methoxy-4-[(Z)-prop-1-enyl]benzene
InChI :InChI=1/C14H20O3/c1-5-7-12-8-9-13(14(10-12)15-4)17-11(3)16-6-2/h5,7-11H,6H2,1-4H3/b7-5-
InChIKey :JLSRPGJKIAJORX-ALCCZGGFBJ
SMILES :CCOC(C)OC1=C(C=C(C=C1)/C=C\C)OC
cas number :84029-92-5  (Z)
molar refractivity :71.10 ± 0.3 cm3
parachor :559.9 ± 4.0 cm3
index of refraction :1.517 ± 0.02
surface tension :32.4 ± 3.0 dyne/cm
density :1.006 ± 0.06 g/cm3
polarizability :28.18 ± 0.5 10-24cm3
XlogP : 3.90
XlogP3 : 3.20
molecular weight : 236.3068000 (IUPAC)
formula :C14 H20 O3
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :unspecified
organoleptics :
odor strength :medium
odor description¹ :
at 100.00 %.  		sweet carnation floral spicy tropical isoeugenol
odor sample from :Fritzsche Dodge & Olcott, Inc.
substantivity :168  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 328.00 to 329.00 °C. @ 760.00 mm Hg
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 3.33
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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 isoeugenyl ethyl acetal fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
1-(1-ethoxyethoxy)-2-methoxy-4-[(E)-prop-1-enyl]benzene
(EINECS) number :281-763-9
chemidplus :084029925
EPA Substance Registry Services :84029-92-5
 
1-(1-ethoxyethoxy)-2-methoxy-4-[(Z)-prop-1-enyl]benzene
references :
 
1-(1-ethoxyethoxy)-2-methoxy-4-[(E)-prop-1-enyl]benzene
pubchem :735854
 
1-(1-ethoxyethoxy)-2-methoxy-4-[(Z)-prop-1-enyl]benzene
pubchem :34183726
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1986)¹
CosIng :cosmetic data
RIFM :listed
FMA :listed
synonyms :
 acetaldehyde ethyl isoeugenyl acetal
(1-(1-ethoxyethoxy)-2-methoxy-4-(1-propenyl)benzene)
1-(1-ethoxyethoxy)-2-methoxy-4-[(E)-prop-1-enyl]benzene
2-(1-ethoxyethoxy)-5-(1-propenyl) anisole
isoeugenyl ethyl acetal
soluble in :
 alcohol
insoluble in :
 water
stability :
 alkalis
 detergent
 soap
potential blenders :
 acetophenoneFL/FR
2-acetyl furanFL/FR
 algae absoluteFR
 allspice oilFL/FR
 amber carbinolFR
 ambroxanFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFR
 animal carbolactoneFR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzyl acetateFL/FR
 benzyl cinnamateFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 bois de rose oilFL/FR
isobutyl cinnamateFL/FR
isobutyl salicylateFL/FR
 caraway seed oilFL/FR
 cassia bark oilFL/FR
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 costus valerolactoneFR
 coumarinFR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
alpha-damasconeFL/FR
gamma-decalactoneFL/FR
 decyl acetateFL/FR
 dihydrojasmoneFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl vanillinFL/FR
 eugenolFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 geraniolFL/FR
 geranyl acetateFL/FR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 ionones 
 labdanum resinoidFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 methyl acetophenoneFL/FR
 methyl cedryl ketoneFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
2-methyl undecanalFL/FR
 muguet carboxaldehydeFR
 musks 
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 nerolidolFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 orris pyridineFL/FR
 patchouli ethanoneFR
 phenethyl alcoholFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenyl acetic acidFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 santallFR
 strawberry glycidate 1FL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
gamma-undecalactoneFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 vetiver oilFL/FR
 woody acetateFR
 woody amyleneFR
 woody propanolFR
 ylang ylang oilFL/FR
potential uses :
 amber
 apricot
 balsam
 banana
 carnation dianthus oeillet
 chypre
 clove
 date
 decumaria
 erica
 fern fougere
 fixer
 heather
 lilac lilas syringa
 magnolia
 musk
 orange blossom fleur d'oranger
 pear
 rose
 rose red rose
 tonka
 violet
 wallflower giroflee
 woody
natural occurrence in :
 not found in nature  



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