waxy nitrile
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Notes :
Blends well with aldehyde notes.
 
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IUPAC name :tridec-2-enenitrile
InChI :InChI=1/C13H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12H,2-10H2,1H3
InChIKey :WKSPQBFDRTUGEF-UHFFFAOYAW
SMILES :CCCCCCCCCCC=CC#N
cas number :22629-49-8
(EINECS) number :245-142-6
molar refractivity :62.24 ± 0.3 cm3
parachor :544.8 ± 4.0 cm3
index of refraction :1.453 ± 0.02
surface tension :31.4 ± 3.0 dyne/cm
density :0.840 ± 0.06 g/cm3
polarizability :24.67 ± 0.5 10-24cm3
XlogP : 5.90
molecular weight : 193.3284200 (IUPAC)
formula :C13 H23 N
NMR Predictor :Predict
 
 
export tariff code :2926.90.0000
fda reg :unspecified

Suppliers :
Givaudan :Tridecene-2-Nitrile
Odor:  Citrus, Tangerine, Aldehydic
Moellhausen :ozonil
nature identical kosher
Odor:  powerful nausty, fatty aldehydic; on extreme dilution had mandarine note and sea breeze nuance
Penta :2-tridecenonitrile
Symrise :Ozonil
Odor:  heavy, complex citrus note, reminiscent of mandarine peel. Fruity, floral, aldehydic, waxy, sea breeze nuances
Vigon :Ozonil
Vigon :TRIDECENE-2-NITRILE GIVAUDAN
Odor:  FLORAL, ALDEHYDIC, CITRUS

organoleptics :
odor type :citrus
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :¹
at 1.00 % in dipropylene glycol.  
citrus waxy mandarin skin fresh aldehydic sea breeze
odor sample from :Quest International
substantivity :400  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.83200 to 0.83800 @ 25.00 °C.
pounds per gallon - calc. : 6.923 to 6.973
refractive index :1.45100 to 1.45400 @ 20.00 °C.
boiling point : 288.00 to 289.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 5.49

safety :
most important hazard(s) :Xi N - Irritant, Dangerous for the environment.
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
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 waxy nitrile usage levels up to :
  0.5000 % in the fragrance concentrate.
recommendation for waxy 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
 
 
 
 tridec-2-enenitrile
(EINECS) number :245-142-6
chemidplus :022629498
EPA Substance Registry Services :22629-49-8

references :
 tridec-2-enenitrile
pubchem :667570

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1995)¹
CosIng :cosmetic data
synonyms :
 ozonil
 tridec-2-ene nitrile
 tridec-2-enenitrile
(E,Z)-2(3)-tridecene acid nitrile
trans,cis-2(3)-tridecene acid nitrile
 tridecene nitrile
2-tridecene nitrile
 tridecene-2-nitrile
2-tridecenonitrile

soluble in :
 alcohol

insoluble in :
 water

stability :
 ph from 12.2

(odor and/or flavor) blends with :
 aldehydes
 bigaradial
 dimethyl cyclohexenyl pentenone
 ethyl-alpha-dimethyl hydrocinnamic aldehyde
 methyl propyl oxathian
 methyl thiohexanol
 musk indanone
 ozone propanal
 undecen-2-nitrile

(odor and/or flavor) used in :
 aldehydic
 apple
 citrus
 fir
 fresh
 green
 lemon
 mandarin
 metallic
 ocean sea
 ocean sea breeze
 orange
 peach
 peel
 pine
 watery
 waxy

natural occurrence in :
not found in nature



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