decane nitrile
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IUPAC name :decanenitrile
InChI :InChI=1/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3
InChIKey :HBZDPWBWBJMYRY-UHFFFAOYAE
SMILES :CCCCCCCCCC#N
cas number :1975-78-6
(EINECS) number :217-830-6
molar refractivity :48.29 ± 0.3 cm3
parachor :438.2 ± 4.0 cm3
index of refraction :1.429 ± 0.02
surface tension :30.1 ± 3.0 dyne/cm
density :0.819 ± 0.06 g/cm3
polarizability :19.14 ± 0.5 10-24cm3
XlogP : 3.70
molecular weight : 153.2645600
formula :C10 H19 N
BioActivity Analysis :6085
NMR Predictor :Predict
 
 
export tariff code :2926.90.9590
fda reg :unspecified

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
fresh musty fatty waxy oily cognac
odor sample from :Synarome Corporation

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.81300 to 0.82800 @ 20.00 °C.
pounds per gallon - calc. : 6.773 to 6.898
refractive index :1.42800 to 1.43200 @ 20.00 °C.
boiling point : 242.00 to 244.00 °C. @ 760.00 mm Hg
acid value : 2.00  max.  KOH/g
flash point : 197.00  °F.  TCC  ( 91.67 °C. )
logP (o/w) : 3.78

safety :
most important hazard(s) :Xn N - Harmful, Dangerous for the environment.
  R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for decane nitrile usage levels up to :
  0.5000 % in the fragrance concentrate.
recommendation for decane 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
 
 
 
 decanenitrile
(EINECS) number :217-830-6
chemidplus :001975786
EPA Substance Registry Services :1975-78-6
dtp/nci :6085

references :
 decanenitrile
NIST Chemistry WebBook :724284753
pubchem :217018

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1995)¹
CosIng :cosmetic data
synonyms :
 aldinyle 3882
 caprinitrile
1-cyanononane
 decanenitrile
 decanonitrile
 nonyl cyanide

soluble in :
 alcohol
 water, slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 acetyl nonyryl
isobutyl decanoate
 chamomile oil
(±)-citronellol
 citronellyl nitrile
 citronellyl oxyacetaldehyde
 citrus carbaldehyde
 cocoa butenal
 cyclohexyl ethyl alcohol
 decanal diethyl acetal
2-decen-1-al
9-decen-1-al
 decyl propionate
 ethyl butyrate
 ethyl formate
 ethyl heptanoate
 ethyl laurate
 ethyl undecanoate
2-ethyl-4-butanol
 flower hexene
 geranyl oxyacetaldehyde
 green carbaldehyde
4-heptanone
 heptyl formate
 hexadecanol
 hexanal diethyl acetal
(E)-2-hexen-1-yl valerate
 hexyl 2-furoate
 lily absolute
 magnolia decadienal
 mandarine undecenal
 methyl citronellate
 methyl heptanoate
4-methyl-2-penten-1-al
 muguet butanal
 nonanal
 nonanal diethyl acetal
3-nonanon-1-yl acetate
 octanal
(E)-2-octen-1-yl acetate
 orange oil bitter
 orange peel oil bitter terpeneless
 orangeflower water absolute
 phenethyl butyrate
 phenethyl hexanoate
 tmh aldehyde
2,5,9-trimethyl-4,9-decadien-1-al
 undecanal
N-/i-undecanal
(Z)-8-undecen-1-al
8-undecen-1-al
10-undecen-1-ol
 waxy aldehyde
 waxy undecadienol

(odor and/or flavor) used in :
 agrumen
 aldehydic
 beeswax cire d'abeille
 cilantro
 elder blossom
 mimosa wattle
 osmanthus
 saffron
 waxy

natural occurrence in :
not found in nature



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