para-anisyl nitrile
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IUPAC name :4-methoxybenzonitrile
InChI :InChI=1/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3
InChIKey :XDJAAZYHCCRJOK-UHFFFAOYAA
SMILES :COC1=CC=C(C=C1)C#N
cas number :874-90-8
(EINECS) number :212-871-6
molar refractivity :37.68 ± 0.4 cm3
parachor :311.6 ± 6.0 cm3
index of refraction :1.527 ± 0.03
surface tension :41.8 ± 5.0 dyne/cm
density :1.08 ± 0.1 g/cm3
polarizability :14.93 ± 0.5 10-24cm3
XlogP : 1.70
XlogP3 : 1.90
molecular weight : 133.1472800 (IUPAC)
formula :C8 H7 N O
BioActivity Analysis :70210
NMR Predictor :Predict
 
 
export tariff code :2926.90.0000
fda reg :unspecified
Suppliers :
Nanjing :4-methoxybenzonitrile
orders in chinese only.
Penta :anisonitrile
Pfaltz & Bauer :p-Methoxybenzonitrile
99%
TCI AMERICA :Anisonitrile
>98.0%(GC)
organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description¹ :
at 10.00 % in dipropylene glycol.  		sweet floral hawthorn hay coumarin
odor sample from :Nickstadt Moeller, Inc.
substantivity :400  Hour(s)
properties :
appearence :white crystalline powder
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 61.00 to 62.00 °C. @ 760.00 mm Hg
boiling point : 256.00 to 257.00 °C. @ 760.00 mm Hg
vapor pressure :0.06800 mm/Hg @ 25.00 °C.
flash point : 135.00  °F.  TCC  ( 57.22 °C. )
logP (o/w) : 1.87
safety :
most important hazard(s) :Xn - Harmful.
  R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
S 02 - Keep out of the reach of children.
S 22 - Do not breath dust.
S 24/25 - Avoid contact with skin and eyes.
S 37/39 - Wear suitable gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for para-anisyl nitrile fragrance usage levels up to :
  0.6000 % in the fragrance concentrate.
recommendation for para-anisyl 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
WISER :UN 2811
 
WGK Germany :3
 
 
 
 
4-methoxybenzonitrile
(EINECS) number :212-871-6
chemidplus :000874908
EPA Substance Registry Services :874-90-8
dtp/nci :3777
references :
 
4-methoxybenzonitrile
NIST Chemistry WebBook :22806658
pubchem :212310
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1984)¹
CosIng :cosmetic data
synonyms :
 anisonitrile
para-anisonitrile
 aubepine nitrile
4-cyanoanisole
para-cyanoanisole
4-methoxybenzonitrile
para-methoxybenzonitrile
para-methoxyphenyl cyanide
soluble in :
 alcohol
 water, 1720 mg/L @ 25C
insoluble in :
 water
stability :
 alkalis
potential blenders :    note
 acetanisoleFL/FR
 acetoinFL/FR
 acetophenoneFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl phenyl acetateFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
(E)-anetholFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzyl cinnamateFL/FR
isobornyl acetateFL/FR
 cassia bark oilFL/FR
 celery seed oilFL/FR
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 costus valerolactoneFR
 coumarinFR
 cuminaldehydeFL/FR
 dihydrojasmoneFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl hydroquinoneFL/FR
 ethyl cinnamateFL/FR
 ethyl maltolFL/FR
 ethyl phenyl acetateFL/FR
 ethyl salicylateFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 flouve absoluteFR
 geraniolFL/FR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 hexyl 2-methyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
 ionones 
 lilyallFR
alpha-methyl cinnamaldehydeFL/FR
 methyl isoeugenolFL/FR
 musks 
beta-naphthyl ethyl etherFL/FR
beta-naphthyl methyl etherFL/FR
 neroli oilFL/FR
 nerolidolFL/FR
 nonanolFL/FR
 ocean propanalFL/FR
 orange oilFL/FR
 patchouli ethanoneFR
 petitgrain oilFL/FR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 rose butanoateFL/FR
 santallFR
 storax resinoidFL
alpha-terpineolFL/FR
 tonka bean absoluteFR
gamma-undecalactoneFL/FR
 vanilla absoluteFL/FR
 verymossFR
 woody acetateFR
 ylang ylang oilFL/FR
potential uses :
 acacia
 almond
 amber
 ambrene
 angel
 anise
 apple
 apres l'ondee
 apricot
 balsam
 banana
 bluebell
 bouquet
 broom genet genista
 buchu
 cassie acacia farnesiana
 cherry
 cherry blossom
 christmas blends
 chypre
 clover trefle le'trefle incarnat
 coconut tropical coconut
 cologne
 crabapple blossom
 decumaria
 elder blossom
 fennel
 fern fougere
 floral
 gardenia
 ginger white ginger
 gooseberry
 grape
 grass sweet grass
 hawthorn
 hay new mown hay foin coupe
 heliotrope
 herbal
 hibiscus
 honey miel
 honeysuckle chevrefeuille
 jasmin
 jonquil narcissus jonquilla
 lemon
 lilac lilas syringa
 lime
 linden blossom limeflower tilleul
 magnolia
 melon watermelon muskmelon cantaloupe
 mimosa wattle
 nut walnut
 orange
 orchid
 oriental
 pear
 peppermint
 pineapple
 powder
 raspberry
 sassafras
 spearmint
 strawberry
 sweet pea pois de senteur
 tuberose tubereuse
 tutti frutti
 vanilla
 violet
 wallflower giroflee
 wistaria wisteria glycine
 ylang ylang cananga
natural occurrence in :    note
 not found in nature  

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