para-anisyl nitrile
tonkanyle

Sponsors

Name: 4-methoxybenzonitrile
CAS Number: 874-90-8Picture of molecule3D/inchi
Other: 721942-48-9
ECHA EINECS - REACH Pre-Reg: 212-871-6
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 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
 
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 mm/Hg @ 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
 
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).
 
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-Methoxybenzonitrile 95%
Carbosynth
For experimental / research use only.
4-Methoxybenzonitrile
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
PCAS
4-Methoxy Benzonitrile
Penta International
ANISONITRILE
Santa Cruz Biotechnology
For experimental / research use only.
4-Methoxybenzonitrile
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Methoxybenzonitrile 99%
TCI AMERICA
For experimental / research use only.
Anisonitrile >98.0%(GC)
 
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
 
Safety in Use Information:
Category: fragrance agents
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.
 
Safety References:
EPI System: View
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
 
References:
 4-methoxybenzonitrile
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 874-90-8
Pubchem (cid): 70129
Pubchem (sid): 135026754
 
Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
For Odor
animal
costus valerolactone
FR
balsamic
fir balsam absolute
FR
floral
para-
anisaldehyde dimethyl acetal
FR
floral pyranol
FR
lilyall
FR
mossy
veramoss (IFF)
FR
tonka
coumarin
FR
deertongue oleoresin
FR
flouve absolute
FR
tonka bean absolute
FR
woody
patchouli ethanone
FR
santall
FR
woody acetate
FR
For Flavor
 
Potential Uses:
 acacia cassie farnesianaFR
 almondFR
 amberFR
 ambrene 
 angel 
 aniseFR
 appleFR
 apres l'ondee 
 apricotFR
 balsamFR
 bananaFR
 bluebell 
 bouquetFR
 buchuFL/FR
 cherryFR
 cherry blossomFR
 christmas blendsFR
 chypreFR
 clover trefle le'trefle incarnatFR
 coconut tropicalFR
 cologneFR
 crabapple blossomFR
 decumaria 
 elder flowerFR
 fennelFL/FR
 fern fougereFR
 floralFR
 gardeniaFR
 genet genista broomFR
 ginger whiteFR
 gooseberryFR
 grapeFR
 grass sweetFR
 hawthornFR
 hay new mown hay foin coupeFR
 heliotropeFR
 herbalFR
 hibiscusFR
 honey mielFR
 honeysuckle chevrefeuilleFR
 jasminFR
 jonquil narcissus jonquillaFR
 lemonFR
 lilac lilas syringaFR
 limeFR
 linden blossom limeflower tilleulFR
 magnoliaFR
 melon watermelon muskmelon cantaloupe 
 mimosaFR
 nut walnut 
 orangeFR
 orchidFR
 orientalFR
 pearFR
 peppermintFR
 pineappleFR
 powderFR
 raspberryFR
 sassafrasFR
 spearmintFR
 strawberryFR
 sweet peaFR
 tuberoseFR
 valerianFL/FR
 vanillaFR
 violetFR
 wallflowerFR
 wisteria wistaria glycineFR
 ylang ylangFR
 
Occurrence (nature, food, other): note
 not found in nature
 
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
 

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.
 
Notes:
None found
 
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