clean nitrile
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IUPAC name :tetradecanenitrile
InChI :InChI=1/C14H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-13H2,1H3
InChIKey :MLRCLPRHEOPXLL-UHFFFAOYAZ
SMILES :CCCCCCCCCCCCCC#N
cas number :629-63-0
(EINECS) number :211-099-7
molar refractivity :66.82 ± 0.3 cm3
parachor :597.4 ± 4.0 cm3
index of refraction :1.441 ± 0.02
surface tension :31.0 ± 3.0 dyne/cm
density :0.827 ± 0.06 g/cm3
polarizability :26.49 ± 0.5 10-24cm3
XlogP : 5.30
XlogP3 : 5.80
molecular weight : 209.3708800 (IUPAC)
formula :C14 H27 N
BioActivity Analysis :67777
NMR Predictor :Predict
 
 
export tariff code :2926.90.0000
fda reg :unspecified

organoleptics :
odor type :fresh
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
fresh clean orangeflower green wet
Luebke, William tgsc, (1985)
odor sample from :Roure Bertrand Dupont Inc.
substantivity :308  Hour(s)

properties :
appearence :tan powder
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 17.00 to 19.00 °C. @ 760.00 mm Hg
boiling point : 304.00 to 305.00 °C. @ 760.00 mm Hg
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 5.93

safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :fragrance agents
 
recommendation for clean nitrile fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for clean 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 :3
 
 
 
 
tetradecanenitrile
(EINECS) number :211-099-7
chemidplus :000629630
EPA Substance Registry Services :629-63-0
dtp/nci :910

references :
 
tetradecanenitrile
NIST Chemistry WebBook :165610070
pubchem :206608

other :
VCF-Online: VCF Volatile Compounds in Food
FMA :listed
synonyms :
1-cyanotridecane
 myristonitrile
 myristyl nitrile
 oranile
 tetradecane nitrile
 tetradecanenitrile
 tetradecanonitrile

soluble in :
 alcohol

insoluble in :
 water

potential blenders :    note
2-acetoxy-1,8-cineoleFL
 acetyl tetralin 
 autumn carboxylateFR
 benzyl salicylateFL/FR
 buchu oximeFR
 cedarwood oil epoxidizedFR
 champaca absoluteFR
 china musk original 
 citral / methyl anthranilate schiff's baseFR
 citral ethylene glycol acetalFR
(S)-(-)-citronellalFL/FR
 citronellyl ethyl etherFR
 citrus carbaldehyde / methyl anthranilate schiff's baseFR
 citrus propanolFR
 civet decenoneFL/FR
 coriander oleoresinFL
 cyclamen aldehyde / methyl anthranilate schiff's baseFR
neocyclocitralFR
 cyclododecyl formateFR
 cyclohexyl anthranilateFL/FR
 cyclohexyl ethyl alcoholFL/FR
2-decalinolFR
 decanal / methyl anthranilate schiff's baseFR
 decanolFL/FR
(Z)-4-decen-1-alFL/FR
9-decen-1-olFL/FR
 decyl acetateFL/FR
 decyl formateFR
 decyl methyl etherFR
 decyl vinyl etherFR
 dihydrocitronellyl ethyl etherFR
 dimethyl benzyl carbinolFL/FR
 dimethyl octanyl acetateFL/FR
 diphenyl methaneFL/FR
 dodecanalFL/FR
 ethyl anthranilateFL/FR
 ethyl linaloolFR
 ethylene dodecanoateFR
 floral pyranolFR
(Z)-geranyl ethyl etherFR
 geranyl oxyacetaldehydeFR
 hexyl benzoateFL/FR
 hydroxycitronellal / methyl anthranilate schiff's baseFR
 hydroxycitronellolFL/FR
 labdanum ethanoneFR
 lauryl acetateFL/FR
 leerall / methyl anthranilate schiff's baseFR
 lilyall / methyl anthranilate schiff's baseFR
 linalyl anthranilateFL/FR
 marine carbonitrileFR
 marine pyridineFR
 melon heptenalFL/FR
 methyl anthranilateFL/FR
alpha-methyl naphthyl ketoneFL/FR
 methyl propyl trisulfideFL
 muguet carboxaldehydeFR
 muguet shiseolFL/FR
 musk dodecaneFR
 musk indanoneFR
beta-naphthyl ethyl etherFL/FR
beta-naphthyl methyl etherFL/FR
beta-naphthyl methyl ketoneFL/FR
2-naphthyl phenyl ketone 
 nerol oxideFL/FR
 neroli oilFL/FR
 neroli oil CO2 extractFL/FR
 nerolin fragarolFL/FR
 nonanal / methyl anthranilate schiff's baseFR
 nonanolFL/FR
 nonyl acetateFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 orange nitrileFR
 ozone propanalFR
 pear valerateFR
 peppermint oilFL/FR
 petitgrain bigarade oilFL/FR
 pinoacetaldehydeFR
 propyl anthranilateFL/FR
 sandal hexanolFR
 santallFR
 surfleurs d'oranger oilFL/FR
alpha-terpinyl anthranilateFL/FR
alpha-terpinyl methyl etherFL/FR
 theaspiraneFL/FR
 tonka ketoneFR
 tridecanalFL/FR
N/i-tridecanalFR
N-/i-undecanalFR
 undecanolFL/FR
2-undecanolFL/FR
(Z)-8-undecen-1-alFR
 undecen-1-al mixtureFL/FR
10-undecen-1-olFL/FR
10-undecen-1-yl acetateFL/FR
 undecyl acetateFL/FR
 watermelon ketoneFR
 woody carboxylateFR
 woody hepteneFR
 woody octeneFR

potential uses :
 bergamot
 clean
 cloth clean cloths
 clover trefle le'trefle incarnat
 green
 orange
 orange blossom fleur d'oranger
 orchid
 wet

natural occurrence in :    note
data pagechampaca concrete @ trace% S

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