isoeugenyl ethyl acetal
organoleptics  properties  safety  references  cosmetics    Home Page
Notes :
Isoeugenol replacer. Gives outstanding spicy carnation notes.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
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
formula :C14 H20 O3
 
 
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
formula :C14 H20 O3
 
 
export tariff code :2911.00.5000
fda reg :unspecified

organoleptics :
odor strength :medium
odor description :¹
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 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
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

soluble in :
 alcohol

insoluble in :
 water

stability :
 alkalis
 detergent
 soap

(odor and/or flavor) blends with :
 acetophenone
2-acetyl furan
 algae absolute
 allspice oil
 amber carbinol
 ambroxan
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisaldehyde
para-anisyl alcohol
 beeswax absolute
 benzoin resinoid
 benzyl acetate
 benzyl cinnamate
 benzyl propionate
 benzyl salicylate
 bergamot oil
 bois de rose oil
isobutyl cinnamate
isobutyl salicylate
 caraway seed oil
 cassia bark oil
 cinnamyl alcohol
 citronellol
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 costus valerolactone
 coumarin
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
alpha-damascone
gamma-decalactone
 decyl acetate
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl laurate
 ethyl phenyl acetate
 ethyl vanillin
 eugenol
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 frankincense oil
 geraniol
 geranyl acetate
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 ionones
 labdanum resinoid
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 methyl acetophenone
 methyl cedryl ketone
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
2-methyl undecanal
 muguet carboxaldehyde
 musks
beta-naphthyl ethyl ether
 nerol
 nerolidol
 oakmoss absolute
 ocean propanal
 orris pyridine
 patchouli ethanone
 phenethyl alcohol
 phenethyl isobutyrate
 phenethyl phenyl acetate
 phenethyl propionate
 phenyl acetic acid
3-phenyl propyl alcohol
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 santall
 strawberry glycidate 1
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
gamma-undecalactone
 vanilla absolute
 vanillyl acetate
 verymoss
 vetiver oil
 woody acetate
 woody amylene
 woody propanol
 ylang ylang oil

(odor and/or flavor) used in :
 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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