orange nitrile
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IUPAC name :3-methyldodecanonitrile
InChI :InChI=1/C13H25N/c1-3-4-5-6-7-8-9-10-13(2)11-12-14/h13H,3-11H2,1-2H3
InChIKey :ZKCZXPOYIUVRIV-UHFFFAOYAO
SMILES :CCCCCCCCCC(C)CC#N
cas number :85351-07-1
(EINECS) number :286-729-7
molar refractivity :62.14 ± 0.3 cm3
parachor :555.0 ± 4.0 cm3
index of refraction :1.437 ± 0.02
surface tension :30.1 ± 3.0 dyne/cm
density :0.824 ± 0.06 g/cm3
polarizability :24.63 ± 0.5 10-24cm3
XlogP : 5.90
molecular weight : 195.3443000 (IUPAC)
formula :C13 H25 N
NMR Predictor :Predict
 
 
export tariff code :2926.90.0000
fda reg :unspecified
Suppliers :
Givaudan :Frescile
Odor:  Aldehyde, Citrus, Mandarine
Frescile has very powerful citrus zest note, with a mandarine freshness and shades of aldehydic character. A 10% dilution is recommended at 1 or 2% to support and enhance citrus and marine freshness. The neat material is used particularly in hostile applications, where the options such as stable citrus notes are more limited.
Vigon :FRESCILE
Odor:  ORANGE, FRESH
organoleptics :
odor type :citrus
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  		orange green sea algae watery clean cloths oily
Luebke, William tgsc, (1989)
odor sample from :Quest International
substantivity :140  Hour(s)
properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 284.00 to 285.00 °C. @ 760.00 mm Hg
vapor pressure :0.00300 mm/Hg @ 25.00 °C.
flash point : 178.00  °F.  TCC  ( 81.11 °C. )
logP (o/w) : 5.21
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for orange nitrile fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for orange 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-methyldodecanonitrile
(EINECS) number :286-729-7
chemidplus :085351071
EPA Substance Registry Services :85351-07-1
references :
 
3-methyldodecanonitrile
pubchem :3778788
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
 frescile
3-methyl dodecane nitrile
3-methyl dodecanonitrile
3-methyldodecanonitrile
 orange nitrile
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
para-anisyl formateFL/FR
 cinnamyl nitrileFR
 citronellyl nitrileFR
 cyclododecyl formateFR
 decanal diethyl acetalFL/FR
(E)-4-decen-1-alFL/FR
 decyl acetateFL/FR
 decyl methyl etherFR
 lauryl acetateFL/FR
 lavandin oil grossoFL/FR
 lilyall / methyl anthranilate schiff's baseFR
 marine pyridineFR
 methyl octanoateFL/FR
 octanalFL/FR
 octanolFL/FR
 propylene glycol dibenzoateCS
 seaweed absoluteFL/FR
 tangerine acetateFR
 treemoss absoluteFR
 undecanolFL/FR
2-undecanolFL/FR
10-undecen-1-yl acetateFL/FR
 watermelon ketoneFR
potential uses :
 algae
 bergamot
 enhancer
 green
 modifier
 ocean sea
 topnotes
natural occurrence in :    note
 not found in nature  

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