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

geranium nitrile
sandatrile

Supplier Sponsors

Name:3-(4,7,7-trimethylbicyclo(4.1.0)hept-3-ylidene)propiononitrile
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
 
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 mm/Hg @ 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
 
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).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Propanenitrile, 3-(4,7,7-trimethylbicyclo[4.1.0]hept-3-ylidene)-
Penta International
3-(4,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-3YLIDENE)PROPIONITRILE
The John D. Walsh Company
Rose Nitrile
 
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
 
Safety in Use Information:
Category: fragrance agents
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.
 
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
 
References:
 3-(4,7,7-trimethylbicyclo(4.1.0)hept-3-ylidene)propiononitrile
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):53425201
Pubchem (sid):135258567
 
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
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-beta-
methyl ionone
FL/FR
aldehydic
aldehydic
nonanal diethyl acetal
FL/FR
alliaceous
dibutyl sulfide
FL/FR
balsamic
benzophenone
FR
brachyleana hutchinsii wood oil
FR
guaiacyl phenyl acetate
FL/FR
guaiyl acetate
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
citronella oil ceylon
FL/FR
myrcenyl acetate
FL/FR
earthy
(Z)-
linalool oxide (furanoid)
FL/FR
floral
aeolanthus graveolens oil
FR
iso
amyl undecylenate
FL/FR
benzyl alcohol
FL/FR
bois de rose oil brazil
FL/FR
butyl benzyl ether
FL/FR
4-tert-
butyl cyclohexane carboxaldehyde
FR
citronellal
FL/FR
laevo-
citronellol
FL/FR
citronellyl acetone
FL/FR
citronellyl butyrate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
iso
cyclodimethyl octanol
FR
cyclohexyl propanol
FR
gamma-
damascone
FR
(Z)-alpha-
damascone
FL/FR
(Z)-4-
decen-1-yl acetate
FL/FR
dihydrocarvyl acetate
FL/FR
dihydrorose oxide
FR
2',4'-
dimethyl acetophenone
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
3,6-
dimethyl-3-octanol
FL/FR
farnesyl acetate
FL/FR
floral pyran
FR
floral undecenone
FR
geranium dihydropyran
FR
geranium essence
FL/FR
geranium leaf oil india
FL/FR
geranium oil
FL/FR
geranium oil africa
FL/FR
geranium oil bourbon
FL/FR
geranium oil bourbon replacer
FR
geranium oil china
FL/FR
geranium oil egypt
FL/FR
geranium oil egypt fractions
FR
geranium oil morocco
FL/FR
geranium oil replacer
FR
geranium oil rwanda
FL/FR
geranium oil terpeneless
FL/FR
geranium petiole oil india
FL/FR
geranium pyran
FR
geranium rose oil
FL/FR
geranium rose-scented oil cuba
FR
geranium specialty
FR
geranyl acetate
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl anthranilate
FR
geranyl hexanoate
FL/FR
(E)-
geranyl linalool
FL/FR
geranyl phenyl acetate
FL/FR
geranyl tiglate
FL/FR
hawthorn ethanol
FR
ho leaf oil
FR
ho wood oil
FR
alpha-
ionone
FL/FR
(E)-beta-
ionone
FL/FR
beta-
ionone
FL/FR
alpha-
irone
FL/FR
linaloe wood oil mexico
FL/FR
linalool
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
linalyl propionate
FL/FR
magnolia indene
FR
methyl citronellate
FL/FR
beta-iso
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
2-
methyl octanal
FL/FR
musk acetate
FR
neryl acetate
FL/FR
neryl formate
FL/FR
neryl isovalerate
FL/FR
nonanol
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
palmarosa oil
FL/FR
pelargonium graveolens extract
FL/FR
pelargonium graveolens flower water
FR
pelargonium graveolens flower/leaf/stem water
FR
peony acetonitrile
FR
petitgrain cedrat oil
FL/FR
phenethyl acetate
FL/FR
phenethyl anthranilate
FL/FR
phenethyl phenyl acetate
FL/FR
phenethyl pivalate
FL/FR
phenethyl propionate
FL/FR
phenethyl salicylate
FL/FR
phenyl acetaldehyde dicitronellyl acetal
FR
phenyl acetaldehyde digeranyl acetal
FR
rhodinol
FL/FR
rhodinyl acetate
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl formate
FL/FR
rhodinyl isobutyrate
FL/FR
rhodinyl isovalerate
FL/FR
rhodinyl phenyl acetate
FL/FR
rhodinyl propionate
FL/FR
rose absolute pentanol
FR
rose carbonate
FR
rose geranium fragrance
FR
laevo-
rose oxide
FL/FR
(Z)-
rose oxide
FL/FR
styralyl formate
FL/FR
styralyl propionate
FL/FR
tetrahydrolinalool
FL/FR
2-
undecen-1-ol
FL/FR
(E)-2-
undecen-1-ol
FL/FR
vetiver pentanone
FR
fruity
iso
butyl furyl propionate
FL/FR
citronellyl isobutyrate
FL/FR
(E)-alpha-
damascone
FL/FR
neryl propionate
FL/FR
strawberry glycidate 2
FL/FR
tropical ionone
FL/FR
green
iso
decanal
FL/FR
diphenyl methane
FL/FR
diphenyl oxide
FL/FR
geranium absolute
FL/FR
geranium fragrance
FR
geranium stem oil india
FL/FR
geranium thiazole
FL/FR
iso
green methanoindene
FR
(E)-2-
hexen-1-yl salicylate
FR
pelargonium graveolens stem leaf extract
FR
phenyl acetaldehyde
FL/FR
terpinyl propionate
FL/FR
herbal
freesia heptanol
FL/FR
geranium concrete
FL/FR
geranium cyclohexane
FR
immortelle flower oil
FL/FR
leathery
leather cyclohexanol
FR
orris
beta-
methyl ionone
FL/FR
powdery
(E)-alpha-
methyl ionone (50-60%)
FL/FR
spicy
gingergrass oil
FR
pepper hexanone
FR
spicy carbonate
FR
woody
2-
decalinyl formate
FR
dihydro-beta-ionol
FL/FR
(E)-
ethyl geranate
FR
longifolene
FL/FR
patchouli ethanone
FR
sandal glycol acetal
FR
sandal octanol
FR
sandal pentanol
FR
sandal pentenol
FL/FR
sandel
FR
santalol
FL/FR
(+)-alpha-
santalyl acetate
FL/FR
santalyl phenyl acetate
FL/FR
vetiveryl formate
FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
iso
amyl undecylenate
FL/FR
butyl benzyl ether
FL/FR
citronellyl acetone
FL/FR
(Z)-alpha-
damascone
FL/FR
iso
decanal
FL/FR
(Z)-4-
decen-1-yl acetate
FL/FR
dihydro-beta-ionol
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
(E)-
geranyl linalool
FL/FR
geranyl phenyl acetate
FL/FR
guaiyl acetate
FL/FR
linaloe wood oil mexico
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
(E)-beta-
methyl ionone
FL/FR
beta-iso
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
2-
methyl octanal
FL/FR
nonanal diethyl acetal
FL/FR
sandal pentenol
FL/FR
santalol
FL/FR
(+)-alpha-
santalyl acetate
FL/FR
santalyl phenyl acetate
FL/FR
styralyl formate
FL/FR
(E)-2-
undecen-1-ol
FL/FR
2-
undecen-1-ol
FL/FR
iso
butyl furyl propionate
FL/FR
balsamic
balsamic
phenethyl pivalate
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
citronella oil ceylon
FL/FR
freesia heptanol
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
myrcenyl acetate
FL/FR
petitgrain cedrat oil
FL/FR
styralyl propionate
FL/FR
floral
bois de rose oil brazil
FL/FR
citronellal
FL/FR
laevo-
citronellol
FL/FR
citronellyl propionate
FL/FR
dihydrocarvyl acetate
FL/FR
farnesyl acetate
FL/FR
geranium essence
FL/FR
geranium leaf oil india
FL/FR
geranium oil
FL/FR
geranium oil africa
FL/FR
geranium oil bourbon
FL/FR
geranium oil china
FL/FR
geranium oil egypt
FL/FR
geranium oil morocco
FL/FR
geranium oil rwanda
FL/FR
geranium oil terpeneless
FL/FR
geranium petiole oil india
FL/FR
geranium rose oil
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl tiglate
FL/FR
alpha-
ionone
FL/FR
methyl citronellate
FL/FR
beta-
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
neryl acetate
FL/FR
pelargonium graveolens extract
FL/FR
phenethyl anthranilate
FL/FR
phenethyl propionate
FL/FR
rhodinol
FL/FR
rhodinyl acetate
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
laevo-
rose oxide
FL/FR
tetrahydrolinalool
FL/FR
tropical ionone
FL/FR
fruity
benzyl alcohol
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
(E)-alpha-
damascone
FL/FR
geranyl hexanoate
FL/FR
neryl formate
FL/FR
neryl isovalerate
FL/FR
rhodinyl formate
FL/FR
rhodinyl isovalerate
FL/FR
rhodinyl propionate
FL/FR
strawberry glycidate 2
FL/FR
grassy
palmarosa oil
FL/FR
green
(E)-
citronellyl tiglate
FL/FR
dibutyl sulfide
FL/FR
diphenyl methane
FL/FR
diphenyl oxide
FL/FR
geranium absolute
FL/FR
geranium stem oil india
FL/FR
geranium thiazole
FL/FR
geranyl acetate
FL/FR
linalool oxide
FL/FR
neryl propionate
FL/FR
(Z)-
rose oxide
FL/FR
terpinyl propionate
FL/FR
herbal
3,6-
dimethyl-3-octanol
FL/FR
geranium concrete
FL/FR
immortelle flower oil
FL/FR
linalyl propionate
FL/FR
honey
phenethyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
medicinal,
phenethyl salicylate
FL/FR
phenolic
guaiacyl phenyl acetate
FL/FR
sweet
orris rhizome absolute (iris pallida)
FL/FR
waxy
nonanol
FL/FR
rhodinyl phenyl acetate
FL/FR
woody
(E)-beta-
ionone
FL/FR
beta-
ionone
FL/FR
alpha-
irone
FL/FR
longifolene
FL/FR
 
Potential Uses:
FRaldehydic
FRanimal
FRfloral
FRgeranium
FRmusk
FRrose
FRsandalwood
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
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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