cinnamyl nitrile
cinnamonitrile
 
Notes:
None found
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3-phenylprop-2-enenitrile (Click)
CAS Number: 4360-47-8Picture of molecule
ECHA EINECS - REACH Pre-Reg: 224-441-5
Beilstein Number: 1209545
XlogP3: 2.00 (est)
Molecular Weight: 129.16179000
Formula: C9 H7 N
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: (E)-cinnamyl nitrile
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 263.00 to  264.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.010000 mm/Hg @ 25.00 °C. (est)
Flash Point: 221.00 °F. TCC ( 105.00 °C. )
logP (o/w): 2.008 (est)
Soluble in:
 alcohol
 water, 1067 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: spicy
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 spicy  cinnamon  cassia  
Odor Description:
at 10.00 % in dipropylene glycol. 
spicy cinnamon nitrile
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
CG Herbals
Cinnamyl Nitrile
Indukern F&F
CINNAMYL NITRILE
Odor: SPICY, CINNAMON
CROP CALENDAR
Kun Shan P&A
Cinnamyl Nitrile ( Trans )
Lluch Essence
CINNAMYL NITRILE
Pearlchem Corporation
Cinnamyl Nitrile
Penta International
CINNAMYL NITRILE
Reincke & Fichtner
Cinnamyl Nitrile
Santa Cruz Biotechnology
For experimental / research use only.
3-phenylacrylonitrile
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Safety Information:
Preferred SDS: View
 
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:
oral-rat LD50  4150 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 721, 1976.

intravenous-rabbit LDLo  34 mg/kg
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911.

Dermal Toxicity:
subcutaneous-guinea pig LDLo 130 mg/kg
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
IFRA Critical Effect: Sensitization
IFRA: View Standard
Fragrance usage is IFRA RESTRICTED. View Standard for complete information.
Please review all IFRA documents for complete information.
IFRA categories: limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 1:
See Note (1)
0.03 % (1)
Category 2:  0.04 %
Category 3:  0.125 %
Category 4:  0.125 %
Category 5:  0.125 %
Category 6:  0.80 % (1)
Category 7:  0.08 %
Category 8:  0.125 %
Category 9:  0.125 %
Category 10:  0.125 %
Category 11: See Note (2)
 Notes:
 

For this material, for pragmatic reasons, restrictive levels allowed by the QRA for certain categories but actually being higher than those already in place before applying the QRA, will temporarily not be implemented until the end of a 5 year monitoring phase. At the end of the 5 years the position will be reevaluated again.

 

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

 

(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product.

 
Recommendation for cinnamyl nitrile flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 4360-47-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 74667
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 3-phenylprop-2-enenitrile
Chemidplus: 0004360478
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References:
 3-phenylprop-2-enenitrile
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 4360-47-8
Pubchem (cid): 74667
Pubchem (sid): 135049613
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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
HMDB (The Human Metabolome Database): Search
FooDB: FDB012054
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 cinnamyl salicylate 
 cinnamyl valerateFL/FR
aldehydic
 dodecanal (aldehyde C-12 lauric)FL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
animal
 costus valerolactoneFR
anisic
para-anisaldehydeFL/FR
balsamic
isoamyl benzoateFL/FR
 amyris wood oilFL/FR
siam benzoin resinoidFL/FR
 benzyl cinnamateFL/FR
 benzyl salicylateFL/FR
isobornyl acetateFL/FR
isobutyl cinnamateFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl anthranilate 
 cinnamyl benzoateFL/FR
 cinnamyl butyrateFL/FR
 cinnamyl cinnamateFL/FR
 ethyl cinnamateFL/FR
 frankincense absoluteFL/FR
(Z)-3-hexen-1-yl cinnamateFR
 hexyl cinnamateFR
 linalyl cinnamateFL/FR
 methyl cinnamateFL/FR
 octyl cinnamateFR
 peru balsam oilFL/FR
 peru balsam resinoidFL/FR
2-phenoxyethyl formateFR
3-phenyl propyl acetateFL/FR
3-phenyl propyl alcoholFL/FR
black poplar bud oleoresinFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
 tolu balsam oilFL/FR
caramellic
 ethyl maltolFL/FR
 strawberry furanoneFL/FR
citrus
 bergamot oilFL/FR
blood orange oil italyFL/FR
coconut
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
gamma-octalactoneFL/FR
floral
 acetophenoneFL/FR
alpha-amyl cinnamaldehydeFL/FR
 benzyl acetateFL/FR
 cinnamyl phenyl acetateFL/FR
 citronellolFL/FR
 cumin carbinolFR
 dihydrocarvyl acetateFL/FR
 dimethyl anthranilateFL/FR
 floral pyranolFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 leerallFR
 lilyallFR
 nerolidolFL/FR
 ocean propanalFL/FR
 petitgrain oil paraguayFL/FR
 phenethyl alcoholFL/FR
 phenethyl propionateFL/FR
 phenoxyethanolFL/FR
fruity
 benzyl propionateFL/FR
 cinnamyl hexanoateFL/FR
 cinnamyl isobutyrateFL/FR
gamma-decalactoneFL/FR
 raspberry ketoneFL/FR
green
 cumin acetaldehydeFL/FR
herbal
 carrot seed oil (daucus carota ssp. gummifer hook. fil.) spainFR
 carum carvi fruit oilFL/FR
 celery ketoneFL/FR
 celery undeceneFR
2-cyclohexyl cyclohexanoneFR
 daucus carota fruit oilFL/FR
 lavender absolute bulgariaFL/FR
 nonisyl acetateFR
 perillaldehydeFL/FR
medicinal
summer savory oilFL/FR
melon
 watermelon ketoneFR
minty
 ethyl salicylateFL/FR
mossy
 veramoss (IFF)FR
powdery
para-anisyl alcoholFL/FR
spicy
 allspice leaf oilFL/FR
alpha-amyl cinnamyl alcoholFL/FR
 bay leaf oil terpenelessFL/FR
 benzyl isoeugenolFL/FR
 canella bark oilFR
 cassia bark oil chinaFL/FR
 cassia bark oleoresinFL/FR
 cassia leaf oilFL/FR
 cinnamaldehydeFL/FR
 cinnamaldehyde / methyl anthranilate schiff's baseFR
 cinnamaldehyde ethylene glycol acetalFL/FR
 cinnamon acroleinFL/FR
 cinnamon bark oil ceylonFL/FR
 cinnamon leaf oil ceylonFL/FR
 cinnamon oleoresin ceylonFL/FR
 cinnamyl acetateFL/FR
 cinnamyl isovalerateFL/FR
 cinnamyl propionateFL/FR
 clove bud oilFL/FR
 cumin seed oilFL/FR
 cuminaldehydeFL/FR
 cuminyl alcoholFL/FR
 cuminyl nitrileFR
isoeugenyl acetateFL/FR
isoeugenyl phenyl acetateFL/FR
 levisticum officinale root oilFL/FR
 mace oil CO2 extractFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
ortho-methoxycinnamaldehydeFL/FR
alpha-methyl cinnamaldehydeFL/FR
para-methyl cinnamaldehydeFL/FR
 methyl eugenolFL/FR
 methyl heptadienoneFL/FR
 methyl isoeugenolFL/FR
 myrtenalFL/FR
 nutmeg absoluteFL/FR
 nutmeg oil CO2 extractFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
 spicy acetoacetateFL/FR
(±)-1,2,5,6-tetrahydrocuminic acidFL/FR
tonka
 tonka bean absoluteFR
 tonka undecanoneFR
vanilla
 ethyl vanillinFL/FR
 vanillinFL/FR
woody
 cinnamyl tiglateFL/FR
 cyperus root oil (cyperus scariosus)FR
 guaiacwood oilFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 santallFR
 woody octeneFR
 
For Flavor
 
No flavor group found for these
 celery ketoneFL/FR
 cinnamyl anthranilate 
 cinnamyl benzoateFL/FR
 cinnamyl hexanoateFL/FR
 cinnamyl phenyl acetateFL/FR
 cinnamyl salicylate 
 cinnamyl tiglateFL/FR
 cinnamyl valerateFL/FR
 cumin acetaldehydeFL/FR
2-furfurylidene butyraldehydeFL
 linalyl cinnamateFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
para-methyl cinnamaldehydeFL/FR
 methyl furfuracrylateFL
 phenoxyethanolFL/FR
black poplar bud oleoresinFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
(±)-1,2,5,6-tetrahydrocuminic acidFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
aromatic
 benzyl isoeugenolFL/FR
balsamic
siam benzoin resinoidFL/FR
 benzyl salicylateFL/FR
isobutyl cinnamateFL/FR
 ethyl cinnamateFL/FR
 peru balsam oilFL/FR
 peru balsam resinoidFL/FR
3-phenyl propyl acetateFL/FR
 tolu balsam oilFL/FR
berry
 heliotropyl acetoneFL/FR
caramellic
 ethyl maltolFL/FR
 strawberry furanoneFL/FR
cherry
para-methoxycinnamaldehydeFL/FR
citrus
 bergamot oilFL/FR
blood orange oil italyFL/FR
 petitgrain oil paraguayFL/FR
creamy
para-anisaldehydeFL/FR
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
fatty
(E,E)-2,4-heptadienalFL
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
 cinnamyl propionateFL/FR
 citronellolFL/FR
 dihydrocarvyl acetateFL/FR
 ocean propanalFL/FR
 phenethyl alcoholFL/FR
fruity
isoamyl benzoateFL/FR
para-anisyl alcoholFL/FR
 benzyl acetateFL/FR
 benzyl propionateFL/FR
 cinnamyl isobutyrateFL/FR
 cinnamyl isovalerateFL/FR
gamma-decalactoneFL/FR
 dimethyl anthranilateFL/FR
 heliotropinFL/FR
 phenethyl propionateFL/FR
 raspberry ketoneFL/FR
green
 cinnamyl alcoholFL/FR
 methyl heptadienoneFL/FR
 nerolidolFL/FR
herbal
 carum carvi fruit oilFL/FR
 daucus carota fruit oilFL/FR
 lavender absolute bulgariaFL/FR
lactonic
gamma-octalactoneFL/FR
medicinal
 frankincense absoluteFL/FR
summer savory oilFL/FR
minty
 ethyl salicylateFL/FR
 myrtenalFL/FR
nutty
 furfural acetoneFL
powdery
 acetophenoneFL/FR
soapy
 dodecanal (aldehyde C-12 lauric)FL/FR
spicy
 allspice leaf oilFL/FR
alpha-amyl cinnamyl alcoholFL/FR
 bay leaf oil terpenelessFL/FR
 benzyl cinnamateFL/FR
 benzylidene acetoneFL
 cassia bark oil chinaFL/FR
 cassia bark oleoresinFL/FR
 cassia leaf oilFL/FR
 cinnamaldehydeFL/FR
 cinnamaldehyde ethylene glycol acetalFL/FR
 cinnamon acroleinFL/FR
 cinnamon bark oil ceylonFL/FR
 cinnamon leaf oil ceylonFL/FR
 cinnamon oleoresin ceylonFL/FR
 cinnamyl acetateFL/FR
 cinnamyl cinnamateFL/FR
 clove bud oilFL/FR
 cumin seed oilFL/FR
 cuminaldehydeFL/FR
 cuminyl alcoholFL/FR
isoeugenyl acetateFL/FR
isoeugenyl phenyl acetateFL/FR
 galangal root oleoresinFL
 levisticum officinale root oilFL/FR
 mace oil CO2 extractFL/FR
ortho-methoxycinnamaldehydeFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl eugenolFL/FR
 methyl isoeugenolFL/FR
 nutmeg absoluteFL/FR
 nutmeg oil CO2 extractFL/FR
 perillaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
winter savory oilFL
 spicy acetoacetateFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
vanilla
 ethyl vanillinFL/FR
 vanillinFL/FR
winey
 cinnamyl butyrateFL/FR
woody
 amyris wood oilFL/FR
isobornyl acetateFL/FR
 guaiacwood oilFL/FR
 patchouli oilFL/FR
 
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Potential Uses:
 cassiaFR
 cinnamonFR
 spiceFR
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Occurrence (nature, food, other): note
 champaca concrete @ trace%
Data  GC  Search Trop  Picture
 fig leaf
Search Trop  Picture
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Synonyms:
 acrylonitrile, 3-phenyl-
 cinnamonitrile
 cinnamyl nitrile
1-cyano-2-phenyl ethene
1-cyano-2-phenyl ethylene
1-cyano-2-phenylethene
1-cyano-2-phenylethylene
beta-cyanostyrene
3-phenyl acrylonitrile
beta-phenyl acrylonitrile
3-phenyl-2-propene nitrile
3-phenyl-2-propenenitrile
3-phenylacrylonitrile
beta-phenylacrylonitrile
3-phenylprop-2-enenitrile
2-propenenitrile, 3-phenyl-
 styryl cyanide
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