benzyl isoeugenol
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Notes :
Gives good body. fresh accord - lilyall and benzyl isoeugenol.
 
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IUPAC name :2-methoxy-1-phenylmethoxy-4-prop-1-enylbenzene
InChI :InChI=1/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3
InChIKey :YKSSSKBJDZDZTD-UHFFFAOYAB
SMILES :CC=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
cas number :120-11-6
% from :92.00% to 98.00%
(EINECS) number :204-370-6
fema number :3698
coe number :522
jecfa number :1268
fl. number :04.018
molar refractivity :79.98 ± 0.3 cm3
parachor :595.7 ± 4.0 cm3
index of refraction :1.583 ± 0.02
surface tension :38.5 ± 3.0 dyne/cm
density :1.063 ± 0.06 g/cm3
polarizability :31.70 ± 0.5 10-24cm3
XlogP : 4.80
XlogP3 : 4.10
molecular weight : 254.3236200 (IUPAC)
formula :C17 H18 O2
NMR Predictor :Predict
 
 
IUPAC name :2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
InChI :InChI=1/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+
InChIKey :YKSSSKBJDZDZTD-XVNBXDOJBP
SMILES :C\C=C\C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
cas number :92666-21-2
% from :1.00% to 4.00%
molar refractivity :79.98 ± 0.3 cm3
parachor :595.7 ± 4.0 cm3
index of refraction :1.583 ± 0.02
surface tension :38.5 ± 3.0 dyne/cm
density :1.063 ± 0.06 g/cm3
polarizability :31.70 ± 0.5 10-24cm3
XlogP : 4.80
XlogP3 : 4.10
molecular weight : 254.3236200 (IUPAC)
formula :C17 H18 O2
NMR Predictor :Predict
 
 
IUPAC name :2-methoxy-1-phenylmethoxy-4-[(Z)-prop-1-enyl]benzene
InChI :InChI=1/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3-
InChIKey :YKSSSKBJDZDZTD-CLTKARDFBJ
SMILES :C\C=C/C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
cas number :120-11-6  (Z)
molar refractivity :79.98 ± 0.3 cm3
parachor :595.7 ± 4.0 cm3
index of refraction :1.583 ± 0.02
surface tension :38.5 ± 3.0 dyne/cm
density :1.063 ± 0.06 g/cm3
polarizability :31.70 ± 0.5 10-24cm3
XlogP : 4.80
XlogP3 : 4.10
molecular weight : 254.3236200 (IUPAC)
formula :C17 H18 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Berje :Benzyl iso Eugenol
Organica Aromatics :BENZYL ISO EUGENOL
NLT 98%(sum of isomers)
Odor:  Soft, spicy, carnation and orange blossom odour, long lasting, it gives body and tenacity.
This product is used to add subtle effects to wide range of compositions, imparting warmth and sweetness and thus enhancing the tenacity of the perfume. It acts as a booster in vanilla type flavors.
Penta :benzyl isoeugenol
SAFC Global® :trans-Isoeugenyl benzyl ether
≥98%, Kosher
Odor:  spicy; floral; sweet
Vigon :Benzyl Isoeugenol
Odor:  FAINT, ROSE-CARNATION
organoleptics :
odor type :spicy
odor strength :low
odor description:
at 100.00 %.  		mild spicy balsam carnation
Luebke, William tgsc, (1982)
odor sample from :Berje Inc.
substantivity :232  Hour(s)
properties :
appearence :white to pink crystalline powder
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
melting point : 59.00 to 63.00 °C. @ 760.00 mm Hg
boiling point : 282.00 °C. @ 760.00 mm Hg
congealing point :57.50 °C.
acid value : 1.00  max.  KOH/g
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 4.71
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Human experience : 5 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    4900.00  mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 1025, 1973.

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for benzyl isoeugenol fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
2-methoxy-1-phenylmethoxy-4-prop-1-enylbenzene
(EINECS) number :204-370-6
RTECS :CY8225000 for cas# 120-11-6
chemidplus :000120116
EPA Substance Registry Services :120-11-6
 
 
 
2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
chemidplus :92666-21-2
EPA Substance Registry Services :92666-21-2
 
2-methoxy-1-phenylmethoxy-4-[(Z)-prop-1-enyl]benzene
references :
 
2-methoxy-1-phenylmethoxy-4-prop-1-enylbenzene
fl. number :04.018
jecfa number :1268
NIST Chemistry WebBook :2278250369
pubchem :197282
 
2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
pubchem :10505414
 
2-methoxy-1-phenylmethoxy-4-[(Z)-prop-1-enyl]benzene
pubchem :99603
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 benzyl 2-methoxy-4-propenyl phenyl ether
 benzyl alcohol ether with isoeugenol
 benzyl isoeugenol ether
 benzyl isoeugenyl ether
1-benzyl oxy-2-methoxy-4-propenyl benzene
isoeugenol benzyl ether
isoeugenyl benzyl ether
2-methoxy-1-(phenyl methoxy)-4-(1-propenyl) benzene
2-methoxy-1-(phenylmethoxy)-4-prop-1-enylbenzene
 methoxy-1-phenylmethoxy-4-prop-1-enylbenzene
2-methoxy-4-propenyl phenyl benzyl ether
1-alpha-phenyl-4-propenyl veratrole
4-propenyl-1-benzyl oxy-2-methoxybenzene
soluble in :
 alcohol
 paraffin oil
insoluble in :
 water
stability :
 non-discoloring
potential blenders :    note
 acetophenoneFL/FR
2-acetyl furanFL/FR
 allspice oilFL/FR
 amber carbinolFR
 ambroxanFL/FR
 amyl isoeugenolFR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 animal carbolactoneFR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 bay leaf oil terpenelessFL/FR
 beeswax absoluteFL/FR
 benzoin absolute sumatraFL/FR
 benzoin resinoidFL/FR
 benzyl acetateFL/FR
 benzyl cinnamateFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
alpha-bisaboleneFL/FR
 bois de rose oilFL/FR
isobutyl cinnamateFL/FR
 caraway seed oilFL/FR
 cassia bark oilFL/FR
 champaca absoluteFR
 cinnamyl acetateFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl benzoateFL/FR
 citronellolFL/FR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 copaiba balsam oilFL/FR
 coriander seed oilFL/FR
 costus valerolactoneFR
 coumarinFR
 cyclamen aldehydeFL/FR
isocyclogeraniolFR
 cyclohexyl ethyl alcoholFL/FR
alpha-damasconeFL/FR
gamma-decalactoneFL/FR
 decyl acetateFL/FR
 dianthus ethoneFR
 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 salicylateFL/FR
 ethyl vanillinFL/FR
 eugenolFL/FR
isoeugenolFL/FR
 eugenyl acetateFL/FR
isoeugenyl acetateFL/FR
 eugenyl phenyl acetateFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 frankincense absoluteFL/FR
 frankincense oilFL/FR
 furfural acetoneFL
 galangal root oleoresinFL
 geraniolFL/FR
 geranyl acetateFL/FR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 ionones 
 labdanum resinoidFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 mace oil CO2 extractFL/FR
 methyl acetophenoneFL/FR
 methyl cedryl ketoneFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl eugenolFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
2-methyl undecanalFL/FR
 muguet carboxaldehydeFR
 musks 
 myrrh resinoidFR
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 nerolidolFL/FR
 nutmeg absoluteFL/FR
 nutmeg extract co2 west indianFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 opoponax oilFL/FR
 opoponax resinoidFR
 orris pyridineFR
 patchouli ethanoneFR
 phenethyl alcoholFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetic acidFL/FR
 phenyl amyl alcoholFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 santallFR
 spicy acetoacetateFL/FR
 strawberry glycidate 1FL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tobacco dodecaneFR
 tobacco flower absoluteFR
 tolu balsam oilFL/FR
 tonka bean absoluteFR
 tonka undecanoneFR
gamma-undecalactoneFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 vetiver oilFL/FR
 wallflower absoluteFR
 woody acetateFR
 woody amyleneFR
 woody octeneFR
 woody propanolFR
 wormwood oil annus franceFL/FR
 wormwood oil annus vietnamFL/FR
 ylang ylang oilFL/FR
potential uses :
 amber
 apricot
 balsam
 banana
 benzoinett
 carnation dianthus oeillet
 chypre
 clean
 date
 decumaria
 erica
 fern fougere
 fixer
 heather
 lilac lilas syringa
 magnolia
 musk
 orange blossom fleur d'oranger
 origan
 pear
 rose
 rose red rose
 tonka
 violet
 wallflower giroflee
 woody
natural occurrence in :    note
 not found in nature  

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