amyl isoeugenol
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IUPAC name :2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene
InChI :InChI=1/C15H22O2/c1-4-6-7-11-17-14-10-9-13(8-5-2)12-15(14)16-3/h5,8-10,12H,4,6-7,11H2,1-3H3/b8-5+
InChIKey :IKJFIKIKJWLIQS-VMPITWQZBQ
SMILES :CCCCCOC1=C(C=C(C=C1)\C=C\C)OC
cas number :10484-36-3
(EINECS) number :233-996-2
beilstein number :3205600
molar refractivity :74.03 ± 0.3 cm3
parachor :582.7 ± 4.0 cm3
index of refraction :1.517 ± 0.02
surface tension :32.2 ± 3.0 dyne/cm
density :0.958 ± 0.06 g/cm3
polarizability :29.34 ± 0.5 10-24cm3
XlogP : 5.00
XlogP3 : 4.60
molecular weight : 234.3339800 (IUPAC) (PT) (112)
formula :C15 H22 O2
NMR Predictor :Predict
 

 
IUPAC name :2-methoxy-1-(2-methylbutoxy)-4-[(E)-prop-1-enyl]benzene, branched
InChI :InChI=1/C15H22O2/c1-5-7-13-8-9-14(15(10-13)16-4)17-11-12(3)6-2/h5,7-10,12H,6,11H2,1-4H3/b7-5+
InChIKey :QPFBVWYNLNDOSN-FNORWQNLBU
SMILES :CCC(C)COC1=C(C=C(C=C1)/C=C/C)OC
cas number :68411-38-1
molar refractivity :73.98 ± 0.3 cm3
parachor :580.0 ± 4.0 cm3
index of refraction :1.516 ± 0.02
surface tension :31.5 ± 3.0 dyne/cm
density :0.957 ± 0.06 g/cm3
polarizability :29.33 ± 0.5 10-24cm3
XlogP : 4.70
XlogP3-AA : 4.60
molecular weight : 234.3339800 (IUPAC) (PT) (112)
formula :C15 H22 O2
NMR Predictor :Predict
 

 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :benzene,2-methoxy-1-(pentyloxy)-4-(1-allyl)-
orders in chinese.

organoleptics :
odor type :spicy
odor strength :medium
odor description:
at 100.00 %.  
sweet balsam floral spice carnation

properties :
appearence :yellow clear viscous liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.04000 @ 25.00 °C.
refractive index :1.52800 @ 20.00 °C.
boiling point : 250.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 5.18

safety :
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 513, 1979.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 513, 1979.

Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :fragrance agents
 
recommendation for amyl isoeugenol fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for amyl isoeugenol 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-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene
(EINECS) number :233-996-2
chemidplus :010484363
EPA Substance Registry Services :10484-36-3
 
 
 
2-methoxy-1-(2-methylbutoxy)-4-[(E)-prop-1-enyl]benzene, branched
chemidplus :068411381
EPA Substance Registry Services :68411-38-1

references :
 
2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene
pubchem :689382
 
2-methoxy-1-(2-methylbutoxy)-4-[(E)-prop-1-enyl]benzene, branched
pubchem :686678

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
RIFM :listed
FMA :listed
synonyms :
 amyl isoeugenol branched
 amyl isoeugenol ether
 amyl oxyisoeugenol
isoeugenol amyl ether
2-methoxy-1-(pentyl oxy)-4-(1-propenyl) benzene
2-methoxy-1-(pentyl oxy)-4-(1-propenyl) benzene branched
2-methoxy-1-pentoxy-4-((E)-prop-1-enyl) benzene
2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene
1-pentoxy-2-methoxy-4-propenyl benzene
2-pentyl oxy-5-prop-1-enyl anisole

Similar Products:    note
 acetyl isoeugenol
 benzyl isoeugenol
 ethyl isoeugenol
 methyl isoeugenol
(E)-methyl isoeugenol
(Z)-methyl isoeugenol

soluble in :
 alcohol

insoluble in :
 water

potential blenders :    note
 amyl isoeugenolFR
homoanisaldehydeFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 bay leaf oil terpenelessFL/FR
 benzoin absolute sumatraFL/FR
 benzoin resinoid sumatraFL/FR
 benzyl isoeugenolFL/FR
alpha-bisaboleneFL/FR
 cananga leaf oilFR
 cardamom absoluteFL/FR
 champaca absoluteFR
 cinnamyl acetateFL/FR
 cinnamyl benzoateFL/FR
 cinnamyl isobutyrateFL/FR
 clary sage absoluteFL/FR
 copaiba balsam oilFL/FR
isocyclogeraniolFR
 dianthus ethoneFR
 elder flower absoluteFR
 ethyl cinnamateFL/FR
 ethyl isoeugenolFL/FR
O-ethyl S-(2-furyl methyl) thiocarbonateFL
 ethyl salicylateFL/FR
isoeugenolFL/FR
 eugenyl acetateFL/FR
isoeugenyl acetateFL/FR
isoeugenyl ethyl acetalFR
 eugenyl phenyl acetateFL/FR
 frankincense absoluteFL/FR
 furfural acetoneFL
 galangal root oleoresinFL
 geranyl phenyl acetateFL/FR
 guaiacwood oilFL/FR
 heliotropinFL/FR
 heliotropyl diethyl acetalFR
(E,E)-2,4-hexadien-1-alFL
(Z)-jasmoneFL/FR
 mace oil CO2 extractFL/FR
 marigold pot absoluteFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
4-methyl biphenylFL
 methyl eugenolFL/FR
 methyl isoeugenolFL/FR
(±)-3-((2-methyl-3-furyl)thio)-2-butanoneFL
 myrceneFL/FR
 myrrh resinoidFR
 nutmeg absoluteFL/FR
 nutmeg oil CO2 extractFL/FR
 opoponax oil (balsamodendron kafal)FL/FR
 opoponax resinoid (balsamodendron kafal)FR
 orris root resinoidFL/FR
 peru balsam oilFL/FR
 phenethyl salicylateFL/FR
 phenyl amyl alcoholFL/FR
 rhubarb oxiraneFR
 rose oil otto bulgariaFL/FR
 spicy acetoacetateFL/FR
 tobacco flower absoluteFR
 tolu balsam oilFL/FR
 tonka undecanoneFR
 tuberose absolute concreteFL/FR
 tuberose absolute pommadeFL/FR
 wallflower absoluteFR
 woody octeneFR
 wormwood oil annus franceFL/FR
 wormwood oil annus vietnamFL/FR
 ylang ylang absoluteFL/FR
 ylang ylang oilFL/FR

potential uses :
 balsamFR
 carnation dianthus oeilletFR
 powderFR
 roseFR
 spiceFR

natural occurrence in :    note
 not found in nature  



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