citronellyl nitrile
 
Notes:
None found
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Fragrance Demo Formulas
3,7-dimethyloct-6-enenitrile (Click)
CAS Number: 51566-62-2Picture of molecule
ECHA EINECS - REACH Pre-Reg: 257-288-8
Nikkaji Web: J65.659C
MDL: MFCD00072204
XlogP3-AA: 3.20 (est)
Molecular Weight: 151.25249000
Formula: C10 H17 N
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: (R)-citronellyl nitrile
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 92.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.83500 to 0.85500 @  25.00 °C.
Pounds per Gallon - (est).: 6.948 to  7.114
Refractive Index: 1.44000 to 1.46000 @  20.00 °C.
Boiling Point: 110.00 to  111.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.100000 mm/Hg @ 20.00 °C.
Vapor Density: 6.0 ( Air = 1 )
Flash Point: > 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 3.130
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage: store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 paraffin oil
 water, 37.76 mg/L @ 25 °C (est)
Stability:
 alcoholic fine fragrance, good
 alkalis
 antiperspirant, good
 deo stick, good
 detergent perborate, good
 fabric softener, good
 hard surface cleaner
 liquid detergent, good
 shampoo, good
 soap, good
 toiletry application, good
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Organoleptic Properties:
Odor Type: citrus
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 10.00 % in dipropylene glycol. 
fresh lemon metallic citrus waxy floral
Substantivity: 16 hour(s) at 100.00 %
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Safety 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 36 - Wear suitable protective clothing.
Oral/Parenteral Toxicity:
  oral-rat LD50  5300 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 525, 1979.

Dermal Toxicity:
  skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 525, 1979.

Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category: fragrance agents
Recommendation for citronellyl nitrile usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Recommendation for citronellyl nitrile flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 51566-62-2
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 3033030
National Institute of Allergy and Infectious Diseases: Data
WGK Germany:2
 3,7-dimethyloct-6-enenitrile
Chemidplus: 0051566622
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References:
Leffingwell: Chirality or Article
 3,7-dimethyloct-6-enenitrile
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 51566-62-2
Pubchem (cid): 3033030
Pubchem (sid): 135002433
Pherobase: View
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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: 2926.90.5050
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 acetyl nonyrylFL/FR
 adoxal (Givaudan)FL/FR
 aldehydic fragranceFR
 citrus carbaldehydeFR
 decanal (aldehyde C-10)FL/FR
9-decenalFL/FR
 dodecanal (aldehyde C-12 lauric)FL/FR
 fresh carbaldehydeFR
 geranyl oxyacetaldehydeFR
 mandarine undecenalFL/FR
 muguet undecadienalFR
 nonanal (aldehyde C-9)FL/FR
 octanal (aldehyde C-8)FL/FR
2-tridecenalFL/FR
N-/i-undecanalFR
(Z)-8-undecenalFR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
citrus
 acetaldehyde citronellyl methyl acetalFR
 aldehydic nitrileFR
 aldenal C-10FR
 bergamot oil bergaptene reduced italyFL/FR
 citral diethyl acetalFL/FR
 citral propylene glycol acetalFL/FR
 citronella oil ceylonFL/FR
(E)-4-decenalFL/FR
 dihydromyrcenolFL/FR
 grapefruit oil c.p. californiaFL/FR
 grapefruit pentanolFR
 lemon oil c.p. californiaFL/FR
 lemongrass oilFL/FR
 lemongrass oil guatemalaFL/FR
 lime oil distilled mexicoFL/FR
 litsea cubeba fruit oilFL/FR
 mandarin lemon fagranceFR
 mandarin oil (citrus reticulata var. ponkan)FL/FR
 methyl heptenoneFL/FR
 ocimenolFL/FR
blood orange oil italyFL/FR
bitter orange peel oil brazilFL/FR
sweet orange peel oil c.p. brazilFL/FR
 tangerine oil americaFL/FR
 tetrahydromyrcenolFR
 trimethyl cyclohexeneFR
10-undecen-1-olFL/FR
 verbena oil spainFL/FR
 verbena oil terpenelessFL/FR
dusty
3-methyl-4-pentyl oxybutyraldehydeFR
earthy
 methyl undecylenateFL/FR
fatty
 decanolFL/FR
floral
 acetophenoneFL/FR
alpha-amyl cinnamaldehydeFL/FR
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
 bois de rose oil brazilFL/FR
 citronellalFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
9-decen-1-olFL/FR
 dimethyl anthranilateFL/FR
(±)-4-ethyl octanalFL/FR
 geraniolFL/FR
 geranyl acetateFL/FR
 geranyl propionateFL/FR
 heliotropinFL/FR
 hexyl 2-furoateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
 lavandulolFR
 leerallFR
 lily flower absoluteFR
 linaloolFL/FR
laevo-linaloolFL/FR
 methyl citronellateFL/FR
 muguet butanalFR
 muguet octadienolFR
 nerolFL/FR
3-nonanon-1-yl acetateFL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 petitgrain lemon oilFL/FR
 petitgrain oil paraguayFL/FR
 phenethyl alcoholFL/FR
 phenethyl hexanoateFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 rose absolute (rosa damascena) turkeyFL/FR
 rose blossom pentanolFR
 tetrahydrolinaloolFL/FR
fruity
gamma-decalactoneFL/FR
1,4-diisopropyl-6,8-dioxabicyclo(3.2.1)octaneFR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
(E)-2-undecenalFL/FR
green
isodecanalFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 diphenyl oxideFL/FR
 green carbaldehydeFR
 green dioxolaneFR
 heptyl formateFL/FR
2,4-ivy carbaldehydeFL/FR
 melon nonenoateFL/FR
 neogallFR
 phenoxyethyl isobutyrateFL/FR
herbal
 canarium luzonicum gumFL/FR
 clary sage oil franceFL/FR
alpha-dihydroterpineolFL/FR
 lavender absolute bulgariaFL/FR
 linalyl acetateFL/FR
3-octyl acetateFL/FR
spicy
 cinnamaldehydeFL/FR
 clove bud oilFL/FR
isoeugenolFL/FR
 myristica fragrans fruit extractFL/FR
 myristica fragrans seed tinctureFL/FR
terpenic
 frankincense oilFL/FR
laevo-limoneneFL/FR
alpha-phellandreneFL/FR
gamma-terpineneFL/FR
alpha-terpineolFL/FR
waxy
 decanal dimethyl acetalFL/FR
 ethyl laurateFL/FR
 geranyl undecylenateFR
 phytyl acetateFL/FR
(E)-2-tridecenalFL/FR
 
For Flavor
 
No flavor group found for these
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
 citral propylene glycol acetalFL/FR
isodecanalFL/FR
 decanal dimethyl acetalFL/FR
9-decenalFL/FR
(±)-4-ethyl octanalFL/FR
 mandarine undecenalFL/FR
 ocimenolFL/FR
 phytyl acetateFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 rose absolute (rosa damascena) turkeyFL/FR
10-undecen-1-olFL/FR
aldehydic
 acetyl nonyrylFL/FR
 nonanal (aldehyde C-9)FL/FR
 octanal (aldehyde C-8)FL/FR
2-tridecenalFL/FR
cherry
 heliotropinFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 citral diethyl acetalFL/FR
 citronella oil ceylonFL/FR
 grapefruit oil c.p. californiaFL/FR
 lemon oil c.p. californiaFL/FR
 lemongrass oilFL/FR
 lemongrass oil guatemalaFL/FR
 lime oil distilled mexicoFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 litsea cubeba fruit oilFL/FR
 mandarin oil (citrus reticulata var. ponkan)FL/FR
 nerolFL/FR
blood orange oil italyFL/FR
sweet orange peel oil c.p. brazilFL/FR
 petitgrain lemon oilFL/FR
 petitgrain oil paraguayFL/FR
 tangerine oil americaFL/FR
alpha-terpineolFL/FR
 verbena oil spainFL/FR
 verbena oil terpenelessFL/FR
creamy
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
fatty
 heptyl formateFL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
 bois de rose oil brazilFL/FR
 citronellalFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 geraniolFL/FR
 linalyl acetateFL/FR
 methyl citronellateFL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 phenethyl alcoholFL/FR
 tetrahydrolinaloolFL/FR
fruity
gamma-decalactoneFL/FR
 dimethyl anthranilateFL/FR
3-nonanon-1-yl acetateFL/FR
bitter orange peel oil brazilFL/FR
green
 canarium luzonicum gumFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dihydromyrcenolFL/FR
 diphenyl oxideFL/FR
 geranyl acetateFL/FR
 hexyl 2-furoateFL/FR
2,4-ivy carbaldehydeFL/FR
 melon nonenoateFL/FR
 methyl heptenoneFL/FR
3-octyl acetateFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
 clary sage oil franceFL/FR
 coriander seed oilFL/FR
 lavender absolute bulgariaFL/FR
powdery
 acetophenoneFL/FR
ripe
(E)-4-decenalFL/FR
soapy
 dodecanal (aldehyde C-12 lauric)FL/FR
spicy
 cinnamaldehydeFL/FR
 clove bud oilFL/FR
isoeugenolFL/FR
 myristica fragrans fruit extractFL/FR
 myristica fragrans seed tinctureFL/FR
terpenic
laevo-limoneneFL/FR
alpha-phellandreneFL/FR
gamma-terpineneFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
waxy
 adoxal (Givaudan)FL/FR
 decanal (aldehyde C-10)FL/FR
 decanolFL/FR
9-decen-1-olFL/FR
 ethyl laurateFL/FR
 geranyl propionateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
 methyl undecylenateFL/FR
 phenethyl hexanoateFL/FR
(E)-2-tridecenalFL/FR
(E)-2-undecenalFL/FR
woody
alpha-dihydroterpineolFL/FR
 frankincense oilFL/FR
 
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Potential Uses:
 abroniaFR
 acacia cassie farnesianaFR
 agrumen 
 aldehydicFR
 appleFR
 apple greenFR
 apricotFR
 balsamFR
 basilFL/FR
 bayFL/FR
 bergamotFR
 blackberryFR
 blueberryFR
 bubble gumFR
 butterscotchFR
 cedratFL/FR
 cherryFR
 citronellaFL/FR
 citrusFR
 coconut tropicalFR
 cologneFR
 coloniaFR
 curacaoFL/FR
 eucalyptusFL/FR
 fern fougereFR
 fir needle pine needleFL/FR
 floralFR
 flower shopFR
 fresh & cleanFR
 gardeniaFR
 geraniumFR
 gingerFR
 grapefruitFR
 greenFR
 herbalFR
 honeysuckle chevrefeuilleFR
 hyacinth jacintheFR
 jonquil narcissus jonquillaFR
 lavenderFR
 lemonFR
 lemongrassFR
 limeFR
 linden blossom limeflower tilleulFR
 litsea cubebaFL/FR
 maceFR
 magnoliaFR
 mandarinFR
 melon watermelon muskmelon cantaloupe 
 metallic 
 neroliFR
 orangeFR
 orange blossomFR
 passion fruitFR
 peachFR
 petitgrainFL/FR
 petitgrain lemonFL/FR
 pineappleFR
 plumFR
 rain springFR
 raspberryFR
 rhubarbFR
 roseFR
 rose redFR
 rose tea roseFR
 rose whiteFR
 sassafrasFR
 strawberryFR
 tide 
 vanillaFR
 verbenaFR
 waxy 
 woodyFR
 zibeline 
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 agrunitrile
 baranyl nitrile
 citronalva (IFF)
 citronellonitrile
 citronellylnitrile
 citrylone
3,7-dimethyl oct-6-ene nitrile
3,7-dimethyl-6-octene nitrile
3,7-dimethyl-6-octene-1-nitrile
3,7-dimethyloct-6-ene nitrile
3,7-dimethyloct-6-enenitrile
6-octenenitrile, 3,7-dimethyl-
 vervonitrile
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Articles:
PubMed: Evaluation of genotoxicity of nitrile fragrance ingredients using in vitro and in vivo assays.
PubMed: Comparative metabolism of geranyl nitrile and citronellyl nitrile in mouse, rat, and human hepatocytes.
PubMed: An assessment of the release of inorganic cyanide from the fragrance materials benzyl cyanide, geranyl nitrile and citronellyl nitrile applied dermally to the rat.
PubMed: Urinary thiocyanate levels as a biomarker for the generation of inorganic cyanide from benzyl cyanide in the rat.
PubMed: [Value of a cinnamon and citronellyl oil mixture for the detection of allergy to perfumes].
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