clover nitrile
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IUPAC name :2-phenylhexanenitrile
InChI :InChI=1/C12H15N/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7H2,1H3
InChIKey :OTERUZJEJFMEEB-UHFFFAOYAI
SMILES :CCCCC(C#N)C1=CC=CC=C1
cas number :3508-98-3
(EINECS) number :423-460-8
eu annex :608-039-00-0
molar refractivity :54.24 ± 0.3 cm3
parachor :449.9 ± 4.0 cm3
index of refraction :1.506 ± 0.02
surface tension :37.0 ± 3.0 dyne/cm
density :0.949 ± 0.06 g/cm3
polarizability :21.50 ± 0.5 10-24cm3
XlogP : 3.50
XlogP3-AA : 3.60
molecular weight : 173.2542000 (IUPAC)
formula :C12 H15 N
NMR Predictor :Predict
 
 
export tariff code :2926.90.0000
fda reg :unspecified
Suppliers :
IFF :Salicynalva
≥97% (major peak)
Odor:  Balsamic, Clover, Styrax
Unusual combination of Clover notes (Salicylate-like), Styrax and Balsam.
organoleptics :
odor type :balsamic
odor strength :medium
odor description¹ :
at 10.00 % in dipropylene glycol.  		orchid clover narcissus balsam styrax
odor sample from :International Flavors & Fragrances Inc.
substantivity :112 hour(s) at 10.00 % in dipropylene glycol
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94200 to 0.95000 @ 25.00 °C.
pounds per gallon - calc. : 7.838 to 7.905
refractive index :1.49800 to 1.50500 @ 20.00 °C.
boiling point : 272.00 to 273.00 °C. @ 760.00 mm Hg
vapor pressure :0.00500 mm/Hg @ 25.00 °C.
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 3.51
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for clover nitrile fragrance usage levels up to :
  20.0000 % in the fragrance concentrate.
recommendation for clover nitrile flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
2-phenylhexanenitrile
(EINECS) number :423-460-8
chemidplus :003508983
EPA Substance Registry Services :3508-98-3
dtp/nci :41712
references :
 
2-phenylhexanenitrile
pubchem :675032
other :
reference : Luebke, William tgsc, (2009)¹
FMA :listed
synonyms :
alpha-butyl benzene acetonitrile
2-phenyl hexane nitrile
2-phenylhexanenitrile
 salicynalva
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap
potential blenders :
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 amyris wood oilFR
 bay leaf oilFL/FR
isobornyl acetateFL/FR
 boronia absoluteFL/FR
isobutyl phenyl acetateFL/FR
isobutyl salicylateFL/FR
 citronella oilFL/FR
 clary sage oilFL/FR
 cognac oilFL/FR
 coumarinFR
 cypress oilFR
 decanolFL/FR
 deertongue absoluteFR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl benzoateFL/FR
 ethyl cinnamateFL/FR
 eugenia jambolana leaf oil 
 eugenolFL/FR
 floral pyranolFR
 flouve absoluteFR
 geraniolFL/FR
 ho leaf oilFL/FR
 hyssop oilFL/FR
 ivy absoluteFR
 labdanum resinoidFR
 lavandin oilFL/FR
 lavender absoluteFL/FR
 lemongrass oilFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 litsea cubeba oilFL/FR
 melilot absoluteFR
 mimosa absoluteFL/FR
 nonanolFL/FR
 nutmeg oilFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 olibanum oilFL/FR
 origanum oilFL
 orris absoluteFL/FR
 patchouli ethanoneFR
 pimento berry oilFL/FR
 raspberry ketoneFL/FR
 rose butanoateFL/FR
 santallFR
 spike lavender oilFL/FR
 spruce oilFL/FR
alpha-terpineolFL/FR
 tonka bean absoluteFR
 treemoss absoluteFR
gamma-undecalactoneFL/FR
10-undecen-1-alFL/FR
 vetiver oilFL/FR
 woody acetateFR
potential uses :
 aldehydic
 almond
 alpine bouquet
 amber
 apple blossom
 apricot
 balsam
 banana
 berry
 blue grass
 blue mist
 bluebell
 bouquet
 broom genet genista
 camelia
 carnation dianthus oeillet
 cedar
 cherry
 cherry blossom
 christmas blends
 chrysanthemum chrysantheme
 chypre
 citrus
 clean
 clover trefle le'trefle incarnat
 coconut tropical coconut
 cologne
 currant
 cyclamen
 date
 fern fougere
 floral
 fresh
 fruit
 gooseberry
 grenadine
 hay new mown hay foin coupe
 herbal
 honey miel
 hyacinth jacinthe
 leather
 lemon
 lilac lilas syringa
 lotus
 maja
 meadow
 mimosa wattle
 mint
 moss
 musk
 ocean sea breeze
 orange
 orchid
 oriental
 outdoors fresh outdoors
 peach
 pine
 plum
 poppy red poppy
 potpourri
 raspberry
 rootbeer
 rose
 rose tea rose
 spearmint
 spice
 strawberry
 tuberose tubereuse
 vanilla
 wallflower giroflee
 woody
 ylang ylang cananga
natural occurrence in :
 not found in nature  



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