para-anisyl nitrile
tonkanyle (Synarome)
 
Notes:
None found
  • BOC Sciences
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      Product(s):
      874-90-8 4-Methoxybenzonitrile 95%
       
  • CJ Latta & Associates
    • CJ Latta & Associates, LLC
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      ANISYL NITRILE
       
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      01-37350 ANISONITRILE
       
  • TCI AMERICA
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      A0493 Anisonitrile >98.0%(GC)
       
  • Tianjin Danjun International
    • Tianjin Danjun International Trade Co., LTD.
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      Product(s):
      L-014 Anisonitrile
       
Synonyms   Articles   Notes   Search
CAS Number: 874-90-8Picture of molecule3D/inchi
Other(deleted CASRN): 721942-48-9
ECHA EINECS - REACH Pre-Reg: 212-871-6
FDA UNII: Search
Nikkaji Web: J195.161K
MDL: MFCD00001818
XlogP3: 1.90 (est)
Molecular Weight: 133.14999000
Formula: C8 H7 N O
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome, Edge or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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Physical Properties:
Appearance: white crystalline powder (est)
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: 0.014999 mmHg @ 25.00 °C.
Flash Point: 135.00 °F. TCC ( 57.22 °C. )
logP (o/w): 1.700
Soluble in:
 alcohol
 water, 1715 mg/L @ 25 °C (est)
Stability:
 alkalis
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
Substantivity: 400 hour(s) at 100.00 %
 
 sweet  floral  hawthorn  hay  coumarinic  
Odor Description:
at 10.00 % in dipropylene glycol. 
sweet floral hawthorn hay coumarin
Luebke, William tgsc, (1984)
 
Odor and/or flavor descriptions from others (if found).
 
Synarome
TONKANYLE
Odor Description: soft tonka bean note with aniseed, almond and earthy nuances
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
Suppliers:
BOC Sciences
For experimental / research use only.
4-Methoxybenzonitrile 95%
Carbosynth
For experimental / research use only.
4-Methoxybenzonitrile
CJ Latta & Associates
ANISYL NITRILE
EMD Millipore
For experimental / research use only.
4-Methoxybenzonitrile
Ernesto Ventós
TONKANYLE II SYNAROME
Odor: TONKA, BALSAMIC, POWDERY
Nagar Haveli Perfumes & Aromatics
Para-Anisyl Nitrile
Odor: Sweet floral hawthorn hay coumarin
Penta International
ANISONITRILE
Santa Cruz Biotechnology
For experimental / research use only.
4-Methoxybenzonitrile
Seqens
4-Methoxy Benzonitrile
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Methoxybenzonitrile 99%
Synarome
TONKANYLE
Odor: soft tonka bean note with aniseed, almond and earthy nuances
TCI AMERICA
For experimental / research use only.
Anisonitrile >98.0%(GC)
Tianjin Danjun International
Anisonitrile
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Safety Information:
Preferred SDS: View
European information :
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.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for para-anisyl nitrile usage levels up to:
  0.6000 % in the fragrance concentrate.
 
Recommendation for para-anisyl nitrile flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 874-90-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 70129
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 2811
WGK Germany: 3
 4-methoxybenzonitrile
Chemidplus: 0000874908
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References:
 4-methoxybenzonitrile
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 874-90-8
Pubchem (cid): 70129
Pubchem (sid): 135026754
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEMBL: View
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2926.90.4800
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
animal
 costus valerolactoneFR
anisic
para-acetanisoleFL/FR
balsamic
isoamyl benzoateFL/FR
 amyris wood oilFL/FR
siam benzoin resinoidFL/FR
 benzyl cinnamateFL/FR
isobornyl acetateFL/FR
 cinnamyl alcoholFL/FR
 ethyl cinnamateFL/FR
 fir balsam absoluteFR
3-phenyl propyl alcoholFL/FR
 styrax resinoid (liquidambar styraciflua)FL/FR
berry
 raspberry ketoneFL/FR
buttery
 acetoinFL/FR
caramellic
 ethyl maltolFL/FR
chocolate
isoamyl phenyl acetateFL/FR
citrus
sweet orange peel oil c.p. brazilFL/FR
coumarinic
 tonka furanoneFL/FR
floral
 acetophenoneFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
para-anisaldehyde dimethyl acetalFR
 citronellolFL/FR
 dihydrojasmoneFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl phenyl acetateFL/FR
 floral pyranolFR
 geraniolFL/FR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
 lilyallFR
ortho-methyl acetophenoneFL/FR
 neroli oil bigardeFL/FR
 nerolidolFL/FR
 nonanolFL/FR
 ocean propanalFL/FR
 petitgrain oil paraguayFL/FR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 rose butanoateFL/FR
 ylang ylang flower oilFL/FR
fruity
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
green
para-dimethyl hydroquinoneFL/FR
 hexyl 2-methyl butyrateFL/FR
hay
 beeswax absoluteFL/FR
herbal
 apium graveolens seed oil indiaFL/FR
licorice
(E)-anetholFL/FR
minty
 ethyl salicylateFL/FR
mossy
 veramoss (IFF)FR
naphthyl
beta-naphthyl ethyl etherFL/FR
beta-naphthyl methyl etherFL/FR
powdery
para-anisyl alcoholFL/FR
spicy
 cassia bark oil chinaFL/FR
 cuminaldehydeFL/FR
isoeugenyl acetateFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl isoeugenolFL/FR
terpenic
alpha-terpineolFL/FR
tonka
 coumarinFR
 deertongue oleoresinFR
 flouve absoluteFR
 tonka bean absoluteFR
vanilla
 ethyl vanillinFL/FR
 vanilla bean absolute (vanilla planifolia)FL/FR
woody
 patchouli ethanoneFR
 santallFR
 woody acetateFR
 
For Flavor
 
No flavor group found for these
 tonka furanoneFL/FR
anise
(E)-anetholFL/FR
anisic
para-acetanisoleFL/FR
ortho-methyl acetophenoneFL/FR
balsamic
siam benzoin resinoidFL/FR
 ethyl cinnamateFL/FR
 styrax resinoid (liquidambar styraciflua)FL/FR
berry
 heliotropyl acetoneFL/FR
 raspberry ketoneFL/FR
brown
 beeswax absoluteFL/FR
caramellic
 ethyl maltolFL/FR
cherry
 heliotropinFL/FR
citrus
sweet orange peel oil c.p. brazilFL/FR
alpha-terpineolFL/FR
creamy
 acetoinFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
floral
isoamyl phenyl acetateFL/FR
 citronellolFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geraniolFL/FR
 neroli oil bigardeFL/FR
 ocean propanalFL/FR
 phenethyl alcoholFL/FR
 ylang ylang flower oilFL/FR
fruity
isoamyl benzoateFL/FR
para-anisyl alcoholFL/FR
 dimethyl anthranilateFL/FR
 rose butanoateFL/FR
green
isoamyl salicylateFL/FR
 cinnamyl alcoholFL/FR
para-dimethyl hydroquinoneFL/FR
 hexyl 2-methyl butyrateFL/FR
 nerolidolFL/FR
herbal
 apium graveolens seed oil indiaFL/FR
 petitgrain oil paraguayFL/FR
honey
 ethyl phenyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
minty
 ethyl salicylateFL/FR
naphthyl
beta-naphthyl methyl etherFL/FR
powdery
 acetophenoneFL/FR
beta-naphthyl ethyl etherFL/FR
spicy
 benzyl cinnamateFL/FR
 cassia bark oil chinaFL/FR
 cuminaldehydeFL/FR
isoeugenyl acetateFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl isoeugenolFL/FR
3-phenyl propyl alcoholFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
vanilla
 ethyl vanillinFL/FR
 vanilla bean absolute (vanilla planifolia)FL/FR
waxy
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
 nonanolFL/FR
woody
 amyris wood oilFL/FR
isobornyl acetateFL/FR
 
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Potential Uses:
 acaciaFR
 almondFR
 amberFR
 ambreneFR
 angel essenceFR
 aniseFR
 appleFR
 apres l'ondee 
 apricotFR
 balsamFR
 bananaFR
 bluebellFR
 bouquetFR
 buchu leafFL
 cherryFR
 cherry blossomFR
 christmasFR
 chypreFR
 cloverFR
 coconut tropical coconutFR
 cologneFR
 crabapple blossomFR
 decumariaFR
 elder flowerFR
 fennelFR
 fernFR
 floralFR
 gardeniaFR
 genetFR
 ginger white gingerFR
 gooseberryFR
 grapeFR
 hawthornFR
 hay new mown hayFR
 heliotropeFR
 herbalFR
 hibiscusFR
 honeyFR
 honeysuckleFR
 jasminFR
 jonquilFR
 lemonFR
 lilacFR
 limeFR
 linden flowerFR
 magnoliaFR
 melonFR
 mimosaFR
 orangeFR
 orchidFR
 orientalFR
 pearFR
 peppermintFR
 pineappleFR
 powderFR
 raspberryFR
 sassafrasFR
 spearmintFR
 strawberryFR
 sweet grassFR
 sweet peaFR
 tuberoseFR
 valerianFL/FR
 vanillaFR
 violetFR
 wallflowerFR
 walnutFL
 wisteriaFR
 ylang ylangFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 anisonitrile
p-anisonitrile
para-anisonitrile
p-anisyl nitrile
 aubepine nitrile
4-cyanoanisole
p-cyanoanisole
para-cyanoanisole
4-methoxy-benzonitrile
4-methoxybenzenecarbonitrile
4-methoxybenzonitril
4-methoxybenzonitrile
p-methoxybenzonitrile
para-methoxybenzonitrile
p-methoxyphenyl cyanide
para-methoxyphenyl cyanide
 tonkanyle (Synarome)
Synonyms   Articles   Notes   Search   Top
Articles:
PubMed: Autodisplay of nitrilase from Klebsiella pneumoniae and whole-cell degradation of oxynil herbicides and related compounds.
PubMed: Reductions of aliphatic and aromatic nitriles to primary amines with diisopropylaminoborane.
PubMed: Theoretical surface-enhanced Raman spectra study of substituted benzenes II. Density functional theoretical SERS modelling of o-, m-, and p-methoxybenzonitrile.
PubMed: Synthesis and structure-activity relationships of the first ferrocenyl-aryl-hydantoin derivatives of the nonsteroidal antiandrogen nilutamide.
PubMed: Anomalous reactivity of radical cations produced by photosensitized oxidation of 4-methoxybenzyl alcohol derivatives: role of the sensitizer.
PubMed: Beta-aryl eliminations from Rh(I) iminyl complexes.
PubMed: A mechanistic investigation of the carbon-carbon bond cleavage of aryl and alkyl cyanides using a cationic RhIII silyl complex.
PubMed: Vibrational analysis of substituted benzonitriles. III. Transferability of force constants--the case of some halogeno-, methoxy- and nitro-benzonitriles.
PubMed: [Catalysts for demethylation of methoxybenzonitrile in liquid-phase (author's transl)].
PubMed: Aminonitriles and aminothioamides related to natural amino acids.
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