methyl vetivate
organoleptics  properties  safety  references    FEMA Index    Home Page
 
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IUPAC name :methyl 1,2-dimethyl-3-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene-6-carboxylate
InChI :InChI=1/C14H20O2/c1-8(2)12-9(3)14(4)7-10(12)6-11(14)13(15)16-5/h10-11H,1,6-7H2,2-5H3
InChIKey :QGLOTHQLJUMRHT-UHFFFAOYAX
SMILES :CC1=C(C2CC(C1(C2)C)C(=O)OC)C(=C)C
cas number :68698-57-7
(EINECS) number :272-085-4
molar refractivity :63.57 ± 0.3 cm3
parachor :515.0 ± 6.0 cm3
index of refraction :1.510 ± 0.02
surface tension :34.5 ± 3.0 dyne/cm
density :1.037 ± 0.06 g/cm3
polarizability :25.20 ± 0.5 10-24cm3
XlogP : 3.10
molecular weight : 220.3074000 (IUPAC)
formula :C14 H20 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor type :woody
odor strength :medium
odor description:
at 100.00 %.  		dry woody peppery citrus
Luebke, William tgsc, (1996)
odor sample from :Bedoukian Research, Inc.
substantivity :80  Hour(s)
properties :
appearence :yellow clear liquid
assay : 94.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 281.00 to 282.00 °C. @ 760.00 mm Hg
flash point : 225.00  °F.  TCC  ( 107.22 °C. )
logP (o/w) : 4.05
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for methyl vetivate fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for methyl vetivate flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
 
 
 
methyl 1,2-dimethyl-3-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene-6-carboxylate
(EINECS) number :272-085-4
chemidplus :068698577
EPA Substance Registry Services :68698-57-7
references :
 
methyl 1,2-dimethyl-3-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene-6-carboxylate
pubchem :688629
other :
synonyms :
1,6-dimethyl-2-carbomethoxy-5-isopropenyl-5-norbornene
 methyl 1,2-dimethyl-3-prop-1-en-2-yl bicyclo(2.2.1)hept-2-ene-6-carboxylate
 methyl 1,2-dimethyl-3-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene-6-carboxylate
 methyl 1,6-dimethyl-5-(1-methyl vinyl) bicyclo(2.2.1)hept-5-ene-2-carboxylate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 agarospirolFR
 amber formateFR
 amber naphthofuranFL/FR
 amber pentadecaneFR
 amber spiroleneFR
 ambrette seed absoluteFL/FR
 amyris wood oilFL/FR
 angelica seed oilFL/FR
 angelica seed oil CO2 extractFL/FR
 atractylis root oilFR
1-benzoyl acetoneFL/FR
 bisabololFL/FR
 cabreuva oilFR
alpha-cadinene 
delta-cadinene 
4-carvomenthenolFL/FR
beta-caryophyllene alcohol acetateFL/FR
beta-caryophyllene oxideFL/FR
 cascarilla bark oilFL/FR
 cedarwood absolute atlasFR
 cedarwood oil atlasFR
 cedarwood oil epoxidizedFR
 cedrela wood oilFR
 cedrenyl acetateFR
 cedrol methyl etherFR
 cedryl acetateFL/FR
 copaiba balsam oilFL/FR
 cubeb oleoresinFL
2-decalinyl formateFR
 dehydro beta-linaloolFL/FR
 elemi gumFL/FR
 elemi oilFL/FR
 elemi resinoidFL/FR
 ethyl vinyl ketoneFL/FR
 fenchyl alcoholFL/FR
 fennel seed oil bitter spainFL/FR
 floral undecenoneFR
 grains of paradise oilFL
 guaiacwood oilFL/FR
 guaiacyl acetateFL/FR
 guaieneFL/FR
alpha-guaieneFR
 hemlock western oilFR
 herbal careneFR
 hinoki root oilFR
 juniper berry oilFL/FR
 labdanum ethanoneFR
 labdanum leaf oilFR
 labdanum oilFL/FR
 labdanum resinoidFR
 lavandin water absoluteFL/FR
laevo-limoneneFL/FR
isolongifolene epoxideFR
isolongifolene ketoneFR
para-menth-3-en-1-olFL/FR
2-methoxy-4-vinyl phenolFL/FR
 methyl cyclocitroneFR
 myrceneFL/FR
 oakmoss oilFR
 orange oil bitterFL/FR
 orange peel oil bitter chinaFL/FR
 orange peel oil bitter italyFL/FR
 pepper absolute blackFL/FR
 pepper hexanoneFR
 pepper oil blackFL/FR
 pepper oleoresin blackFL
 pepper oleoresin whiteFL
 pepper tree berry oilFL/FR
beta-pineneFL/FR
laevo-beta-pineneFL/FR
 piperineFL/FR
 sandalwood oil west australiaFR
 seaweed absoluteFL/FR
 sugi wood oilFR
 timber propanolFR
 tobacco noneneFR
 tolu balsam oilFL/FR
 treemoss absoluteFR
 woody carboxylateFR
 woody epoxideFR
 woody etherFR
 woody propanolFR
 zvoulimba oilFR
potential uses :
 amber
 oriental
 patchouli
 sandalwood
 woody
natural occurrence in :    note
 not found in nature  

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