floral nitrile
fleuranil (IFF)
  • Azelis
    • Azelis UK Life Sciences
      Chemical Distribution
      Azelis is a leading global distributor of speciality chemicals.
      Azelis is a leading global speciality chemicals distributor. We provide a diverse range of products and innovative services to more than 20,000 customers. Our in-depth local knowledge is supported by an international structure and value-added services including high levels of technical support and tailored solutions.
      Email: Graham Bott
      Voice: +32 3 613 01 20
      Fax: +32 3 613 01 21
      United Kingdom+44 (0) 1992 82 55 55
      United Kingdom+44 (0) 1992 82 55 66
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      Services
      Product(s):
      FLEURANIL
       
  • Liaison Carbone
    • Liaison Carbone
      Unusual Raw Materials
      Expanding the pallet of avid amateur-perfumers.
      This website is the result of my own attempts at getting hold of aroma chemicals that were hard to come by. At least in the amounts required by hobbyists. My goal is to offer an ever-changing portfolio of fairly unusual raw materials in order to continuously expand the pallet of avid amateur-perfumers.
      Email: Info
      Email: Sales
      Voice: +49 30 246 304 18
      Newsletter
      Product(s):
      FLEURANIL
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      05-63000 3-(4-ETHYL PHENYL)-2,2-DIMETHYLPROPANENITRILE MIXED ISOMERS
       
  • Taytonn
    • TAYTONN PTE LTD
      Supplying Asia Pacific
      We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service.
      Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers.
      Email: Info
      Email: Sales
      Voice: + 65 - 6861 8113
      Fax: + 65 - 6861 8115
      Product(s):
      Fleuranil
       
  • Ernesto Ventós
 
Synonyms   Articles   Notes   Search
Fragrance Demo Formulas
3-(4-ethylphenyl)-2,2-dimethylpropanenitrile (Click)
CAS Number: 134123-93-6
ECHA ELINCS - REACH Pre-Reg: 412-660-0
XlogP3-AA: 3.60 (est)
Molecular Weight: 187.28549000
Formula: C13 H17 N
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
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 311.00 to  312.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 201.00 °F. TCC ( 93.89 °C. )
logP (o/w): 3.460
Shelf Life: 36.00 month(s) or longer if stored properly.
Storage: store in cool, dry place in tightly sealed containers, protected from heat and light.
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Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium
 ozone  marine  seashore  anisic  herbal  
Odor Description:
at 100.00 %. 
ozone marine seashell anisic herbal
Luebke, William tgsc, (2007)
Substantivity: 304 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Azelis
FLEURANIL
Services
Ernesto Ventós
FLEURANIL IFF
Odor: HERBAL, ANISIC, FRESH
IFF
Fleuranil
Odor: Gives fresh, floral, ozone, salted, basillic herbal notes with good diffusion
Kun Shan P&A
Fleuranil
Liaison Carbone
FLEURANIL
Penta International
3-(4-ETHYL PHENYL)-2,2-DIMETHYLPROPANENITRILE MIXED ISOMERS
Taytonn
Fleuranil
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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.
Human Experience:
no sensitization at 6.0%
Oral/Parenteral Toxicity:
oral-rat LD50  > 2000 mg/kg
Luebke, William tgsc, (2007)

Dermal Toxicity:
skin-rat LD50 > 2000 mg/kg
Luebke, William tgsc, (2007)

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
Recommendation for floral nitrile usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Recommendation for floral nitrile flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 134123-93-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 164355
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 3-(4-ethylphenyl)-2,2-dimethylpropanenitrile
Chemidplus: 0134123936
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References:
 3-(4-ethylphenyl)-2,2-dimethylpropanenitrile
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 164355
Pubchem (sid): 135119697
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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
Export Tariff Code: 2926.90.0000
ChemSpider: View
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Potential Blenders and core components note
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
 amber carbinolFR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl phenyl acetateFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
para-anisaldehydeFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 pimenta acris leaf oilFL/FR
 beeswax absoluteFL/FR
siam benzoin resinoidFL/FR
 benzyl acetateFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 bois de rose oil brazilFL/FR
isobutyl cinnamateFL/FR
isobutyl quinolineFR
 daucus carota fruit oilFL/FR
 cassia bark oil chinaFL/FR
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 citrus carbaldehydeFR
 clary sage oil franceFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
(E)-beta-damasconeFL/FR
gamma-decalactoneFL/FR
 decanolFL/FR
9-decen-1-olFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 diphenyl oxideFL/FR
 ethyl cinnamateFL/FR
 ethyl maltolFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFR
 fir needle oil siberiaFL/FR
 floral pyranolFR
 geraniolFL/FR
 green acetateFR
 heliotropyl diethyl acetalFR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl tiglateFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 marine pyridineFR
 melon nonenoateFL/FR
 methyl (E)-cinnamateFL/FR
 methyl cedryl ketoneFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl dihydrojasmonateFL/FR
 methyl isoeugenolFL/FR
 muguet carboxaldehydeFR
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 nerolidolFL/FR
 nonanal (aldehyde C-9)FL/FR
 nonanolFL/FR
 ocean propanalFL/FR
 orris pyridine 25% IPMFR
 patchouli ethanoneFR
 peony alcoholFR
black pepper oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl propionateFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 santallFR
 strawberry furanoneFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tobacarol (IFF)FR
 tonka bean absoluteFR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
 vanilla bean absolute (vanilla planifolia)FL/FR
 vanillyl acetateFL/FR
 veramoss (IFF)FR
 vetiver oil haitiFL/FR
 violet methyl carbonateFR
 woody acetateFR
(Z)-woody amyleneFR
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Potential Uses:
 floralFR
 herbalFR
 lilac lilas syringaFR
 ocean sea 
 ozone 
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Natural Occurrence in: note
 not found in nature
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Synonyms:
 benzenepropanenitrile, 4-ethyl-a,a-dimethyl-
3-(4-ethyl phenyl)-2,2-dimethyl propane nitrile and isomers
3-(4-ethyl phenyl)-2,2-dimethylpropanenitrile mixed isomers
4-ethyl-alpha,alpha-dimethyl benzene propane nitrile
3-(4-ethylphenyl)-2,2-dimethylpropanenitrile
 fleuranil (IFF)
 floral nitrile
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Articles:
 None found yet.
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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Soluble in:
 alcohol
 water, 11.37 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alcoholic lotion
 antiperspirant
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap
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