geranium nitrile
sandatrile
 
Notes:
None found
  • BOC Sciences
    • BOC Sciences
      Best of Chemicals Supplier
      Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds.
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      BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
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      Product(s):
      68804-02-4 Propanenitrile, 3-(4,7,7-trimethylbicyclo[4.1.0]hept-3-ylidene)-
       
  • 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.
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      Product(s):
      20-78000 2,4,6-TRIMETHYL BENZALDEHYDE
       
  • The John D. Walsh Company
    • The John D. Walsh Company, Inc
      Suppliers Since 1942
      Supplying the fragrance and flavor industry with high quality products.
      The John D. Walsh Company, Inc. has evolved from its beginnings as an agent/broker into a distributor of essential oils, aroma chemicals, concretes and absolutes. We currently represent the following companies, as their North American distributor: Destilerias Munoz Galvez, S.A. International Flavors & Fragrances PFW Aroma Chemicals B.V. Innospec Widnes Limited Hydrodiffusion de Guatemala, S. A. DSM Nutritional Products The John D. Walsh Company, Inc. is proud to be a founding member of IFEAT, an active member of IFRA, North America, and a corporate sponsor of the WFFC.
      Email: Information
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      History
      Product(s):
      Rose Nitrile
       
Synonyms   Articles   Notes   Search
CAS Number: 68804-02-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 272-321-6
XlogP3-AA: 2.90 (est)
Molecular Weight: 189.30143000
Formula: C13 H19 N
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: trimethyl bicyclo-3-heptyl acrylonitrile
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 to yellow brown clear liquid (est)
Assay: 95.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.94200 to 0.95200 @  20.00 °C.
Pounds per Gallon - (est).: 7.848 to  7.931
Refractive Index: 1.49100 to 1.49700 @  20.00 °C.
Boiling Point: 286.00 to  287.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.006000 mmHg @ 25.00 °C. (est)
Flash Point: > 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 4.150 (est)
Soluble in:
 alcohol
 water, 3.562 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
Substantivity: 264 hour(s) at 100.00 %
 
 rose  geranium  woody  sandalwood  
Odor Description:
at 100.00 %. 
rich rose geranium woody sandalwood
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
Propanenitrile, 3-(4,7,7-trimethylbicyclo[4.1.0]hept-3-ylidene)-
Penta International
2,4,6-TRIMETHYL BENZALDEHYDE
The John D. Walsh Company
Rose Nitrile
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for geranium nitrile usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Recommendation for geranium nitrile flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 53425201
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 3-(4,7,7-trimethylbicyclo(4.1.0)hept-3-ylidene)propiononitrile
Chemidplus: 0068804024
Synonyms   Articles   Notes   Search   Top
References:
 3-(4,7,7-trimethylbicyclo(4.1.0)hept-3-ylidene)propiononitrile
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 53425201
Pubchem (sid): 135258567
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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
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2926.90.0000
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-beta-methyl iononeFL/FR
aldehydic
 nonanal diethyl acetalFL/FR
alliaceous
 dibutyl sulfideFL/FR
balsamic
 benzophenoneFR
 brachyleana hutchinsii wood oilFR
 guaiacyl phenyl acetateFL/FR
 guaiyl acetateFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 citronella oil ceylonFL/FR
 myrcenyl acetateFL/FR
earthy
(Z)-linalool oxide (furanoid)FL/FR
floral
 aeolanthus graveolens oilFR
isoamyl undecylenateFL/FR
 benzyl alcoholFL/FR
 bois de rose oil brazilFL/FR
 butyl benzyl etherFL/FR
4-tert-butyl cyclohexane carboxaldehydeFR
 citronellalFL/FR
laevo-citronellolFL/FR
 citronellyl acetoneFL/FR
 citronellyl butyrateFL/FR
 citronellyl cinnamate 
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
isocyclodimethyl octanolFR
 cyclohexyl propanolFR
(Z)-alpha-damasconeFL/FR
gamma-damasconeFR
(Z)-4-decen-1-yl acetateFL/FR
 dihydrocarvyl acetateFL/FR
 dihydrorose oxideFR
2',4'-dimethyl acetophenoneFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
3,6-dimethyl-3-octanolFL/FR
 farnesyl acetateFL/FR
 floral pyranFR
 floral undecenoneFR
 geranium dihydropyranFR
 geranium essenceFL/FR
 geranium leaf oil indiaFL/FR
 geranium oilFL/FR
 geranium oil africaFL/FR
 geranium oil bourbonFL/FR
 geranium oil bourbon replacerFR
 geranium oil chinaFL/FR
 geranium oil egyptFL/FR
 geranium oil egypt fractionsFR
 geranium oil moroccoFL/FR
 geranium oil replacerFR
 geranium oil rwandaFL/FR
 geranium oil terpenelessFL/FR
 geranium petiole oil indiaFL/FR
 geranium pyranFR
 geranium rose oilFL/FR
 geranium rose-scented oil cubaFR
 geranium specialtyFR
 geranyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl anthranilateFR
 geranyl hexanoateFL/FR
(E)-geranyl linaloolFL/FR
 geranyl phenyl acetateFL/FR
 geranyl tiglateFL/FR
 hawthorn ethanolFR
 ho leaf oilFR
 ho wood oilFR
alpha-iononeFL/FR
beta-iononeFL/FR
(E)-beta-iononeFL/FR
alpha-ironeFL/FR
 linaloe wood oil mexicoFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl propionateFL/FR
 magnolia indeneFR
 methyl citronellateFL/FR
beta-isomethyl iononeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
2-methyl octanalFL/FR
 musk acetateFR
 neryl acetateFL/FR
 neryl formateFL/FR
 neryl isovalerateFL/FR
 nonanolFL/FR
 orris rhizome absolute (iris pallida)FL/FR
 palmarosa oilFL/FR
 pelargonium graveolens extractFL/FR
 pelargonium graveolens flower waterFR
 pelargonium graveolens flower/leaf/stem waterFR
 peony acetonitrileFR
 petitgrain cedrat oilFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl pivalateFL/FR
 phenethyl propionateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehyde dicitronellyl acetalFR
 phenyl acetaldehyde digeranyl acetalFR
 rhodinolFL/FR
 rhodinyl acetateFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl formateFL/FR
 rhodinyl isobutyrateFL/FR
 rhodinyl isovalerateFL/FR
 rhodinyl phenyl acetateFL/FR
 rhodinyl propionateFL/FR
 rose absolute pentanolFR
 rose carbonateFR
 rose geranium fragranceFR
laevo-rose oxideFL/FR
(Z)-rose oxideFL/FR
 styralyl formateFL/FR
 styralyl propionateFL/FR
 tetrahydrolinaloolFL/FR
2-undecen-1-olFL/FR
(E)-2-undecen-1-olFL/FR
 vetiver pentanoneFR
fruity
isobutyl furyl propionateFL/FR
 citronellyl isobutyrateFL/FR
(E)-alpha-damasconeFL/FR
 neryl propionateFL/FR
 strawberry glycidate 2FL/FR
 tropical iononeFL/FR
green
isodecanalFL/FR
 diphenyl methaneFL/FR
 diphenyl oxideFL/FR
 geranium absoluteFL/FR
 geranium fragranceFR
 geranium stem oil indiaFL/FR
 geranium thiazoleFL/FR
isogreen methanoindeneFR
(E)-2-hexen-1-yl salicylateFR
 pelargonium graveolens stem leaf extractFR
 phenyl acetaldehydeFL/FR
 terpinyl propionateFL/FR
herbal
 freesia heptanolFL/FR
 geranium concreteFL/FR
 geranium cyclohexaneFR
 immortelle flower oilFL/FR
leathery
 leather cyclohexanolFR
orris
beta-methyl iononeFL/FR
powdery
(E)-alpha-methyl ionone (50-60%)FL/FR
spicy
 gingergrass oilFR
 pepper hexanoneFR
 spicy carbonateFR
woody
2-decalinyl formateFR
 dihydro-beta-ionolFL/FR
(E)-ethyl geranateFR
 longifoleneFL/FR
 patchouli ethanoneFR
 sandal glycol acetalFR
 sandal octanolFR
 sandal pentanolFR
 sandal pentenolFL/FR
 sandelFR
 santalolFL/FR
(+)-alpha-santalyl acetateFL/FR
 santalyl phenyl acetateFL/FR
 vetiveryl formateFR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
isoamyl undecylenateFL/FR
 butyl benzyl etherFL/FR
 citronellyl acetoneFL/FR
 citronellyl cinnamate 
(Z)-alpha-damasconeFL/FR
isodecanalFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 dihydro-beta-ionolFL/FR
2',4'-dimethyl acetophenoneFL/FR
(E)-geranyl linaloolFL/FR
 geranyl phenyl acetateFL/FR
 guaiyl acetateFL/FR
 linaloe wood oil mexicoFL/FR
(Z)-linalool oxide (furanoid)FL/FR
beta-isomethyl iononeFL/FR
(E)-beta-methyl iononeFL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
2-methyl octanalFL/FR
 nonanal diethyl acetalFL/FR
 sandal pentenolFL/FR
 santalolFL/FR
(+)-alpha-santalyl acetateFL/FR
 santalyl phenyl acetateFL/FR
 styralyl formateFL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
isobutyl furyl propionateFL/FR
balsamic
 phenethyl pivalateFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 citronella oil ceylonFL/FR
 freesia heptanolFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 myrcenyl acetateFL/FR
 petitgrain cedrat oilFL/FR
 styralyl propionateFL/FR
floral
 bois de rose oil brazilFL/FR
 citronellalFL/FR
laevo-citronellolFL/FR
 citronellyl propionateFL/FR
 dihydrocarvyl acetateFL/FR
 farnesyl acetateFL/FR
 geranium essenceFL/FR
 geranium leaf oil indiaFL/FR
 geranium oilFL/FR
 geranium oil africaFL/FR
 geranium oil bourbonFL/FR
 geranium oil chinaFL/FR
 geranium oil egyptFL/FR
 geranium oil moroccoFL/FR
 geranium oil rwandaFL/FR
 geranium oil terpenelessFL/FR
 geranium petiole oil indiaFL/FR
 geranium rose oilFL/FR
(E)-geranyl acetoneFL/FR
 geranyl tiglateFL/FR
alpha-iononeFL/FR
 methyl citronellateFL/FR
beta-methyl iononeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
 neryl acetateFL/FR
 pelargonium graveolens extractFL/FR
 phenethyl anthranilateFL/FR
 phenethyl propionateFL/FR
 rhodinolFL/FR
 rhodinyl acetateFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
laevo-rose oxideFL/FR
 tetrahydrolinaloolFL/FR
 tropical iononeFL/FR
fruity
 benzyl alcoholFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
(E)-alpha-damasconeFL/FR
 geranyl hexanoateFL/FR
 neryl formateFL/FR
 neryl isovalerateFL/FR
 rhodinyl formateFL/FR
 rhodinyl isovalerateFL/FR
 rhodinyl propionateFL/FR
 strawberry glycidate 2FL/FR
grassy
 palmarosa oilFL/FR
green
(E)-citronellyl tiglateFL/FR
 dibutyl sulfideFL/FR
 diphenyl methaneFL/FR
 diphenyl oxideFL/FR
 geranium absoluteFL/FR
 geranium stem oil indiaFL/FR
 geranium thiazoleFL/FR
 geranyl acetateFL/FR
 linalool oxideFL/FR
 neryl propionateFL/FR
(Z)-rose oxideFL/FR
 terpinyl propionateFL/FR
herbal
3,6-dimethyl-3-octanolFL/FR
 geranium concreteFL/FR
 immortelle flower oilFL/FR
 linalyl propionateFL/FR
honey
 phenethyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehydeFL/FR
medicinal,
 phenethyl salicylateFL/FR
phenolic
 guaiacyl phenyl acetateFL/FR
sweet
 orris rhizome absolute (iris pallida)FL/FR
waxy
 nonanolFL/FR
 rhodinyl phenyl acetateFL/FR
woody
(E)-beta-iononeFL/FR
beta-iononeFL/FR
alpha-ironeFL/FR
 longifoleneFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 aldehydicFR
 animalFR
 floralFR
 geraniumFR
 muskFR
 roseFR
 sandalwoodFR
 woodyFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
 geranium nitrile
 rose nitrile
 sandatrile
3-(4,7,7-trimethyl bicyclo(4.1.0)hept-3-yl) acrylonitrile + 3-(4,7,7-trimethyl bicyclo(4.1.0)hept-3-ylidene) propane nitrile
3-(4,7,7-trimethyl bicyclo(4.1.0)hept-3-ylidene) propane nitrile + 3-(4,7,7-trimethyl bicyclo(4.1.0)hept-3-yl) acrylonitrile
3-(4,7,7-trimethyl bicyclo(4.1.0)hept-3-ylidene) propiononitrile + 3-(4,7,7-trimethyl bicyclo(4.1.0)hept-3-yl) acrylonitrile
3-(4,7,7-trimethylbicyclo(4.1.0)hept-3-ylidene) propiononitrile
3-(4,7,7-trimethylbicyclo(4.1.0)hept-3-ylidene)propiononitrile
3-(4,7,7-trimethylbicyclo[4.1.0]hept-3-yl)acrylonitrile
3-(4,7,7-trimethylbicyclo[4.1.0]hept-3ylidene)propionitrile
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Articles:
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