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
molecular weight : 209.3708800
formula :C14 H27 N
BioActivity Analysis :67777
 
 
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 :¹
at 10.00 % in dipropylene glycol.  
fresh clean orangeflower green wet
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 :
 
recommendation for clean nitrile usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for clean nitrile 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 :
reference : Luebke, William tgsc, (1985)¹
VCF-Online: VCF Volatile Compounds in Food
synonyms :
1-cyanotridecane
 myristonitrile
 myristyl nitrile
 oranile
 tetradecane nitrile
 tetradecanenitrile
 tetradecanonitrile

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
2-acetoxy-1,8-cineole
 acetyl tetralin
 autumn carboxylate
 benzyl salicylate
 buchu oxime
 cedarwood oil epoxidized
 champaca absolute
 china musk original
 citral / methyl anthranilate schiff's base
 citral ethylene glycol acetal
(S)-(-)-citronellal
 citronellyl ethyl ether
 citrus carbaldehyde / methyl anthranilate schiff's base
 citrus propanol
 civet decenone
 coriander oleoresin
 cyclamen aldehyde / methyl anthranilate schiff's base
neocyclocitral
 cyclododecyl formate
 cyclohexyl anthranilate
 cyclohexyl ethyl alcohol
2-decalinol
 decanal / methyl anthranilate schiff's base
 decanol
(Z)-4-decen-1-al
9-decen-1-ol
 decyl acetate
 decyl formate
 decyl methyl ether
 decyl vinyl ether
 dihydrocitronellyl ethyl ether
 dimethyl benzyl carbinol
 dimethyl octanyl acetate
 diphenyl methane
 dodecanal
 ethyl anthranilate
 ethyl linalool
 ethylene dodecanoate
 floral pyranol
(Z)-geranyl ethyl ether
 geranyl oxyacetaldehyde
 hexyl benzoate
 hydroxycitronellal / methyl anthranilate schiff's base
 hydroxycitronellol
 labdanum ethanone
 lauryl acetate
 leerall / methyl anthranilate schiff's base
 lilyall / methyl anthranilate schiff's base
 linalyl anthranilate
 marine carbonitrile
 marine pyridine
 melon heptenal
 methyl anthranilate
alpha-methyl naphthyl ketone
 methyl propyl trisulfide
 muguet carboxaldehyde
 muguet shiseol
 musk dodecane
 musk indanone
beta-naphthyl ethyl ether
beta-naphthyl methyl ether
beta-naphthyl methyl ketone
2-naphthyl phenyl ketone
 nerol oxide
 neroli oil
 neroli oil CO2 extract
 nerolin fragarol
 nonanal / methyl anthranilate schiff's base
 nonanol
 nonyl acetate
 ocean propanal / methyl anthranilate schiff's base
 orange nitrile
 ozone propanal
 pear valerate
 peppermint oil
 petitgrain bigarade oil
 pinoacetaldehyde
 propyl anthranilate
 sandal hexanol
 santall
 surfleurs d'oranger oil
alpha-terpinyl anthranilate
alpha-terpinyl methyl ether
 theaspirane
 tonka ketone
 tridecanal
N/i-tridecanal
N-/i-undecanal
 undecanol
2-undecanol
(Z)-8-undecen-1-al
 undecen-1-al mixture
10-undecen-1-ol
10-undecen-1-yl acetate
 undecyl acetate
 watermelon ketone
 woody carboxylate
 woody heptene
 woody octene

(odor and/or flavor) used in :
 bergamot
 clean
 cloth clean cloths
 clover trefle le'trefle incarnat
 green
 orange
 orange blossom fleur d'oranger
 orchid
 wet

natural occurrence in :
data pagechampaca concrete @ trace%



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