homogeranyl nitrile
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IUPAC name :3,7-dimethylnona-2,6-dienenitrile
InChI :InChI=1/C11H17N/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8H,4-5,7H2,1-3H3
InChIKey :DHJVLXVXNFUSMU-UHFFFAOYAX
SMILES :CCC(=CCCC(=CC#N)C)C
cas number :61792-11-8
(EINECS) number :263-214-5
molar refractivity :52.72 ± 0.3 cm3
parachor :444.8 ± 4.0 cm3
index of refraction :1.466 ± 0.02
surface tension :29.8 ± 3.0 dyne/cm
density :0.857 ± 0.06 g/cm3
polarizability :20.90 ± 0.5 10-24cm3
XlogP : 3.20
molecular weight : 163.2593800 (IUPAC)
formula :C11 H17 N
NMR Predictor :Predict
 
 
export tariff code :2926.90.0000
fda reg :unspecified

Suppliers :
Givaudan :Lemonile®
Odor:  Intense, Lemon, Cologne
Lemonile is used in lemon, verbena and lime compositions where it imparts freshness and diffusion. This nitrile is an extremely powerful chemical and has excellent stability in alkaline media. More natural and long lasting than Geranitrile T.
Penta :3,7-dimethyl-2,6-nonadiene nitrile
Vigon :Lemonile

organoleptics :
odor type :citrus
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
lemon cologne metallic
substantivity :400  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 266.00 to 267.00 °C. @ 760.00 mm Hg
vapor pressure :0.01300 mm/Hg @ 20.00 °C.
flash point : 203.00  °F.  TCC  ( 95.00 °C. )
logP (o/w) : 3.90

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.
Oral Toxicity(LD50) : 
  Oral-Rat    2600.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :fragrance agents
 
recommendation for homogeranyl nitrile fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for homogeranyl nitrile flavor usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
3,7-dimethylnona-2,6-dienenitrile
(EINECS) number :263-214-5
chemidplus :061792118
EPA Substance Registry Services :61792-11-8

references :
 
3,7-dimethylnona-2,6-dienenitrile
pubchem :689710

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
3,7-dimethyl nona-2,6-diene nitrile
3,7-dimethyl-2,6-nonadiene nitrile
3,7-dimethyl-2(3),6-nonadiene nitrile
3,7-dimethylnona-2,6-dienenitrile
 lemonile

soluble in :
 alcohol
 water, 45 mg/L @ 20C

insoluble in :
 water

stability :
 bleach

potential blenders :    note
 acetaldehyde citronellyl methyl acetalFR
beta-bisabololFL/FR
 cedrat peel oilFL/FR
 citralFL/FR
 citral / methyl anthranilate schiff's baseFR
 citral diethyl acetalFL/FR
 citral propylene glycol acetalFL/FR
 citronella oilFL/FR
 citronellyl ethyl etherFR
 citronellyl nitrileFR
isodecanalFL/FR
 dihydro-alpha-terpinyl acetateFR
 dihydromyrcenolFL/FR
 dihydroterpinyl acetateFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL
 elemi oilFL/FR
 epoxy-2-decenalFL
(Z)-geranyl ethyl etherFR
 geranyl nitrileCS
2-heptanolFL/FR
 heptyl phenyl acetateFL/FR
 kauri-copal leaf oil 
 kauri-copal oil 
 lemon hexadieneFL/FR
 lemon oilFL/FR
 lemon oil c.p. furo coumarin freeFL/FR
 lemon oil distilledFL/FR
 lemon oil expressedFL/FR
 lemon oil terpenelessFL/FR
 lemongrass oilFL/FR
 lemongrass oil guatemalaFL/FR
 lime octenolFL/FR
 litsea cubeba oilFL/FR
 litsea cubeba oil terpenelessFL/FR
 neroli ketoneFL/FR
 ocimen-1-yl acetateFR
 ocimenolFL/FR
alpha-terpineneFL/FR
 tetrahydrocitralFL/FR
 trimethyl cyclohexeneFR
 verbena oil spainFL/FR
 verbena oil terpenelessFL/FR

potential uses :
 bergamot
 grapefruit
 lemon
 lime
 mandarin
 orange
 verbena verveine

natural occurrence in :    note
 not found in nature  

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