EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

para-anisyl nitrile
tonkanyle (Synarome)

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 sample from: Nickstadt Moeller, Inc.
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
Nactis Flavours
ANISYL NITRILE
Odor: soft tonka bean note with aniseed, almond and earthy nuances
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
anisic
para-
acetanisole
FL/FR
balsamic
iso
amyl benzoate
FL/FR
amyris wood oil
FL/FR
siam
benzoin resinoid
FL/FR
benzyl cinnamate
FL/FR
iso
bornyl acetate
FL/FR
cinnamyl alcohol
FL/FR
ethyl cinnamate
FL/FR
fir balsam absolute
FR
3-
phenyl propyl alcohol
FL/FR
styrax resinoid (liquidambar styraciflua)
FL/FR
berry
raspberry ketone
FL/FR
buttery
acetoin
FL/FR
caramellic
ethyl maltol
FL/FR
chocolate
iso
amyl phenyl acetate
FL/FR
citrus
sweet
orange peel oil c.p. brazil
FL/FR
coumarinic
tonka furanone
FL/FR
floral
acetophenone
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
iso
amyl salicylate
FL/FR
para-
anisaldehyde dimethyl acetal
FR
citronellol
FL/FR
dihydrojasmone
FL/FR
dimethyl anthranilate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
ethyl phenyl acetate
FL/FR
floral pyranol
FR
geraniol
FL/FR
heliotropin
FL/FR
heliotropyl acetone
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
lilyall
FR
ortho-
methyl acetophenone
FL/FR
neroli oil bigarde
FL/FR
nerolidol
FL/FR
nonanol
FL/FR
ocean propanal
FL/FR
petitgrain oil paraguay
FL/FR
phenethyl alcohol
FL/FR
phenethyl phenyl acetate
FL/FR
rose butanoate
FL/FR
ylang ylang flower oil
FL/FR
fruity
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
para-
dimethyl hydroquinone
FL/FR
hexyl 2-methyl butyrate
FL/FR
hay
beeswax absolute
FL/FR
herbal
apium graveolens seed oil india
FL/FR
licorice
(E)-
anethol
FL/FR
minty
ethyl salicylate
FL/FR
mossy
veramoss (IFF)
FR
naphthyl
beta-
naphthyl ethyl ether
FL/FR
beta-
naphthyl methyl ether
FL/FR
powdery
para-
anisyl alcohol
FL/FR
spicy
cassia bark oil china
FL/FR
cuminaldehyde
FL/FR
iso
eugenyl acetate
FL/FR
alpha-
methyl cinnamaldehyde
FL/FR
methyl isoeugenol
FL/FR
terpenic
alpha-
terpineol
FL/FR
tonka
coumarin
FR
deertongue oleoresin
FR
flouve absolute
FR
tonka bean absolute
FR
vanilla
ethyl vanillin
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
woody
patchouli ethanone
FR
santall
FR
woody acetate
FR
For Flavor
No flavor group found for these
tonka furanone
FL/FR
anise
anise
(E)-
anethol
FL/FR
anisic
para-
acetanisole
FL/FR
ortho-
methyl acetophenone
FL/FR
balsamic
siam
benzoin resinoid
FL/FR
ethyl cinnamate
FL/FR
styrax resinoid (liquidambar styraciflua)
FL/FR
berry
heliotropyl acetone
FL/FR
raspberry ketone
FL/FR
brown
beeswax absolute
FL/FR
caramellic
ethyl maltol
FL/FR
cherry
heliotropin
FL/FR
citrus
sweet
orange peel oil c.p. brazil
FL/FR
petitgrain oil paraguay
FL/FR
alpha-
terpineol
FL/FR
creamy
acetoin
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
floral
iso
amyl phenyl acetate
FL/FR
citronellol
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geraniol
FL/FR
neroli oil bigarde
FL/FR
ocean propanal
FL/FR
phenethyl alcohol
FL/FR
ylang ylang flower oil
FL/FR
fruity
iso
amyl benzoate
FL/FR
para-
anisyl alcohol
FL/FR
dimethyl anthranilate
FL/FR
rose butanoate
FL/FR
green
iso
amyl salicylate
FL/FR
cinnamyl alcohol
FL/FR
para-
dimethyl hydroquinone
FL/FR
hexyl 2-methyl butyrate
FL/FR
nerolidol
FL/FR
herbal
apium graveolens seed oil india
FL/FR
honey
ethyl phenyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
minty
ethyl salicylate
FL/FR
naphthyl
beta-
naphthyl methyl ether
FL/FR
powdery
acetophenone
FL/FR
beta-
naphthyl ethyl ether
FL/FR
spicy
benzyl cinnamate
FL/FR
cassia bark oil china
FL/FR
cuminaldehyde
FL/FR
iso
eugenyl acetate
FL/FR
alpha-
methyl cinnamaldehyde
FL/FR
methyl isoeugenol
FL/FR
3-
phenyl propyl alcohol
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
vanilla
ethyl vanillin
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
waxy
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
nonanol
FL/FR
woody
amyris wood oil
FL/FR
iso
bornyl acetate
FL/FR
 
Potential Uses:
FRacacia
FRalmond
FRamber
FRambrene
 angel
FRanise
FRapple
 apres l'ondee
FRapricot
FRbalsam
FRbanana
 bluebell
FRbouquet
FLbuchu leaf
FRcherry
FRcherry blossom
FRchristmas
FRchypre
FRclover
FRcoconut tropical coconut
FRcologne
FRcrabapple blossom
 decumaria
FRelder flower
FRfennel
FRfern
FRfloral
FRgardenia
FRgenet
FRginger white ginger
FRgooseberry
FRgrape
FRhawthorn
FRhay new mown hay
FRheliotrope
FRherbal
FRhibiscus
FRhoney
FRhoneysuckle
FRjasmin
FRjonquil
FRlemon
FRlilac
FRlime
FRlinden flower
FRmagnolia
 melon watermelon muskmelon cantaloupe
FRmimosa
FRorange
FRorchid
FRoriental
FRpear
FRpeppermint
FRpineapple
FRpowder
FRraspberry
FRsassafras
FRspearmint
FRstrawberry
FRsweet grass
FRsweet pea
FRtuberose
FL/FRvalerian
FRvanilla
FRviolet
FRwallflower
FLwalnut
FRwisteria
FRylang ylang
 
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 (Synarome)
 

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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