elemicin
organoleptics  properties  safety  references    FEMA Index    Home Page
 
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IUPAC name :1,2,3-trimethoxy-5-prop-2-enylbenzene
InChI :InChI=1/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3
InChIKey :BPLQKQKXWHCZSS-UHFFFAOYAD
SMILES :COC1=CC(=CC(=C1OC)OC)CC=C
cas number :487-11-6
(EINECS) number :207-649-0
beilstein number :1912664
jecfa number :1788
molar refractivity :60.19 ± 0.3 cm3
parachor :482.6 ± 4.0 cm3
index of refraction :1.496 ± 0.02
surface tension :30.2 ± 3.0 dyne/cm
density :1.011 ± 0.06 g/cm3
polarizability :23.86 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 208.2536400 (IUPAC)
formula :C12 H16 O3
BioActivity Analysis :80216
pherobase :view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor strength :medium
odor description:
at 100.00 %.  		spice flower
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05800 to 1.07000 @ 25.00 °C.
pounds per gallon - calc. : 8.804 to 8.903
refractive index :1.52900 to 1.53400 @ 20.00 °C.
boiling point : 152.00 to 156.00 °C. @ 17.00 mm Hg
boiling point : 144.00 to 147.00 °C. @ 10.00 mm Hg
flash point : 199.00  °F.  TCC  ( 92.78 °C. )
logP (o/w) : 2.68
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for elemicin fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
 
 
 
 
1,2,3-trimethoxy-5-prop-2-enylbenzene
(EINECS) number :207-649-0
chemidplus :000487116
EPA Substance Registry Services :487-11-6
dtp/nci :16704
references :
 
1,2,3-trimethoxy-5-prop-2-enylbenzene
jecfa number :1788
NIST Chemistry WebBook :2795201488
pubchem :153506
Flavornet :487-11-6
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
5-allyl-1,2,3-trimethoxybenzene
1,2,3-trimethoxy-5-(2-propenyl) benzene
1,2,3-trimethoxy-5-(2-propenyl)benzene
1,2,3-trimethoxy-5-prop-2-enyl benzene
1,2,3-trimethoxy-5-prop-2-enylbenzene
3,4,5-trimethoxyallyl benzene
1,2,6-trimethyl-4-allyl benzene
soluble in :
 alcohol
insoluble in :
 water
potential blenders :
 amyl isoeugenolFR
homoanisaldehydeFL/FR
 cananga leaf oilFL/FR
 cardamom absoluteFL/FR
 cinnamyl acetateFL/FR
 cinnamyl isobutyrateFL/FR
 clary sage absoluteFL/FR
isocyclogeraniolFR
 elder flowers absoluteFR
O-ethyl S-(2-furyl methyl) thiocarbonateFL
isoeugenyl acetateFL/FR
isoeugenyl ethyl acetalFL/FR
 heliotropyl diethyl acetalFL/FR
(E,E)-2,4-hexadien-1-alFL
(Z)-jasmoneFL/FR
 marigold pot absoluteFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
4-methyl biphenylFL
(±)-3-((2-methyl-3-furyl)thio)-2-butanoneFL
 rhubarb oxiraneFR
 rose oilFL/FR
 tuberose absoluteFL/FR
 tuberose absolute concreteFL/FR
 ylang ylang absoluteFL/FR
natural occurrence in :
data pagecascarilla bark oil @ 0.56% S
data pagecrithmum maritimum l. oil turkey @ 0.10% S
data pagecubeb oil @ trace% S
data pagedill weed oil cuba @ trace% S
data pageelemi oil @ 10.60% S
 elemi oil manila S
data pageestragon oil @ trace% S
data pagelaurel leaf oil turkey @ 0.30% S
data pagemace oil CO2 extract @ 4.20% S
data pagemace oil east india @ 3.14% S
data pagemangrove bark red oil cuba @ 0.20% S
data pagemastic leaf oil @ 0.23% S
data pagenutmeg extract co2 west indian @ 3.10% S
data pagenutmeg flower oil @ 8.76% S
data pagenutmeg leaf oil @ 0.19-3.51% S
data pagenutmeg oil hydrodistilled india @ 2.4% S
data pageparsley leaf oil @ 0.71% S
data pageparsley leaf oil cuba @ 1.70% S
data pageparsley leaf oil egypt @ 0.15% S
data pageparsley seed oil @ 2.64% S
data pagesnake root oil canada @ 1.70% S
data pagesugandha kokila berry oil @ 0.20% S



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