tonkavert
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IUPAC name :3,5-dimethylcyclohex-3-ene-1-carbonitrile
InChI :InChI=1/C9H13N/c1-7-3-8(2)5-9(4-7)6-10/h3,7,9H,4-5H2,1-2H3
InChIKey :PHYAMLKALRTMOP-UHFFFAOYAO
SMILES :CC1CC(CC(=C1)C)C#N
cas number :66848-40-6
(EINECS) number :266-497-3
molar refractivity :41.24 ± 0.4 cm3
parachor :350.0 ± 6.0 cm3
index of refraction :1.473 ± 0.03
surface tension :32.2 ± 5.0 dyne/cm
density :0.92 ± 0.1 g/cm3
polarizability :16.35 ± 0.5 10-24cm3
XlogP : 2.00
molecular weight : 135.2062200 (IUPAC)
formula :C9 H13 N
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor strength :medium
odor description:
at 100.00 %.  		tonka
properties :
appearence :colorless to yellow clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 221.00 to 223.00 °C. @ 760.00 mm Hg
flash point : 169.00  °F.  TCC  ( 76.11 °C. )
logP (o/w) : 2.38
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for tonkavert fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for tonkavert flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
3,5-dimethylcyclohex-3-ene-1-carbonitrile
(EINECS) number :266-497-3
chemidplus :066848406
EPA Substance Registry Services :66848-40-6
references :
 
3,5-dimethylcyclohex-3-ene-1-carbonitrile
pubchem :683921
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
1-cyano-3,5-dimethyl cyclohex-3-ene
3,5-dimethyl cyclohex-3-ene-1-carbonitrile
3,5-dimethyl cyclohexene carbonitrile
3,5-dimethylcyclohex-3-ene-1-carbonitrile
 tonkavert
 trivertanyl
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
2-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
2-acetyl-5-methyl furanFL/FR
 amber decatrieneFR
 ambrette seed absoluteFL/FR
alpha-amyl cinnamyl isovalerateFL/FR
 amyl heptanoateFL/FR
isoamyl octanoateFL/FR
 amyl phenyl acetateFL/FR
6-amyl-alpha-pyroneFL/FR
 anisonitrileFR
para-anisyl acetateFL/FR
 beeswax absoluteFL/FR
 boronia butenalFR
 bran absoluteFR
 capsicum oleoresinFL/FR
alpha-cedrene epoxideFR
 chamomile flower oil germanyFL/FR
 cherry propanolFL/FR
 coconut decanoneFR
 coconut naphthalenoneFL/FR
 costus valerolactoneFR
 coumaneFL/FR
 coumarinFR
 creamy lactoneFL/FR
para-cresyl isovalerateFL/FR
 cyclohexanone diethyl acetalFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
delta-damasconeFL/FR
alpha-decalactoneFR
delta-decalactoneFL/FR
gamma-decalactoneFL/FR
 deertongue absoluteFR
 deertongue concrete 
 deertongue oleoresinFR
 dehydromenthofurolactoneFL
5,5-dibutyl dihydrofuran-2(3H)-oneFL
N,N-diethyl octanamideFR
(R)-dihydroactinidiolideFL
 dihydrocoumarinFL
 dihydrojasmone lactoneFL/FR
 dimethyl benzofuranoneFL
delta-dodecalactoneFL/FR
 dodecanolFL/FR
delta-2-dodecenolactoneFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
3-ethyl pyridineFL/FR
 ethyl undecanoateFL/FR
 fenugreek absoluteFL/FR
 fig leaf absoluteFL
 flouve absoluteFR
 genet absoluteFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
 hay absoluteFR
 heliotropinFL/FR
delta-heptalactoneFL/FR
gamma-heptalactoneFL/FR
2-heptanoneFL/FR
 hexahydrocoumarinCS
gamma-hexalactoneFL/FR
 hexen-1-yl cyclopentanoneFR
2'-hydroxyacetophenoneFL/FR
4-hydroxybenzyl alcoholFL/FR
 immortelle absoluteFL/FR
 immortelle flower oilFR
 jasmin lactoneFL/FR
 lauric acidFR
 lime oil expressed floridaFL/FR
isolongifolene ketoneFR
 lovage oleoresinFL
 massoia bark oilFL
 massoia lactoneFL
 mate absoluteFL/FR
 melilot absoluteFR
 melilot oleoresinFL
7-methoxycoumarinFL
 methyl (Z)-5-octenoateFL
 methyl 2-furoateFL/FR
 methyl acetophenoneFL/FR
2'-methyl acetophenoneFL/FR
 methyl benzoxoleFL/FR
6-methyl coumarinFL
7-methyl coumarinCS
 methyl heptadienoneFL/FR
 methyl laurateFL/FR
 methyl nicotinateFL/FR
6-methyl quinolineFL/FR
 mint lactoneFL/FR
 myristyl alcoholFL/FR
 myrtenalFL/FR
delta-nonalactoneFL/FR
gamma-nonalactoneFL/FR
 octahydrocoumarinFL/FR
delta-octalactoneFL/FR
gamma-octalactoneFL/FR
4-octen-3-oneFL
 paprika oleoresinFL/FR
2-pentyl cyclopentanoneFR
 phenyl acetic acidFL/FR
isophoroneFL
ketoisophoroneFL/FR
 phthalideFL/FR
 pine needle absoluteFL/FR
 poplar bud oleoresinFL/FR
 powdery ketoneFL
 propenyl guaetholFL/FR
 propyl octanoateFL/FR
isopropyl octanoateFL/FR
2-propyl pyridineFL
 quinolineFL
 saffron indenoneFL/FR
 saffron resinoidFL/FR
 safranalFL/FR
 syringaldehydeFL/FR
 tetrahydrojasmoneFR
 theaspiraneFL/FR
 tobacco butenalFR
 tobacco concreteFR
 tobacco cyclohexenoneFL/FR
 tobacco dodecaneFR
 tobacco flower absoluteFR
 tobacco leaf absoluteFR
 tobacco noneneFR
 tolualdehydes (mixed o/m/p)FL/FR
 tonka bean absoluteFR
 tonka bean oleoresinFR
 tonka bean resinoidFR
 tonka furanoneFL/FR
 tonka ketoneFR
 tonka undecanoneFR
2-tridecanoneFL/FR
delta-undecalactoneFL/FR
 undecanoic acidFL/FR
 vanillyl alcoholFL/FR
 whiskey lactoneFL/FR
 wine lactoneFL/FR
 woodruff absoluteFR
 woody dioxolaneFR
 woody etherFR
potential uses :
 coconut
 tobacco
 tonka
natural occurrence in :    note
 not found in nature  

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