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

fresh nitrile
isofreshal nitrile

Supplier Sponsors

CAS Number: 68311-05-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:269-744-3
Nikkaji Web:J334.140B
XlogP3-AA:2.90 (est)
Molecular Weight:189.30143000
Formula:C13 H19 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
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.95300 @ 25.00 °C.
Boiling Point: 291.00 to 292.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 223.00 °F. TCC ( 106.11 °C. )
logP (o/w): 3.984 (est)
Soluble in:
 alcohol
 water, 7.49 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium
green woody ozone
Odor Description:at 100.00 %. green woody ozone
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Taytonn
isoFresh Nitrile
Odor: Green, Herbal/ Herbaceous, Ozone/Ozonic, Woody
The John D. Walsh Company
isoFreshal Nitrile
 
Safety Information:
 
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 2000 mg/kg

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for fresh nitrile usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Recommendation for fresh nitrile flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):68311-05-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :109301
National Institute of Allergy and Infectious Diseases:Data
3-methyl-7-propan-2-ylbicyclo[2.2.2]oct-2-ene-6-carbonitrile
Chemidplus:0068311057
 
References:
 3-methyl-7-propan-2-ylbicyclo[2.2.2]oct-2-ene-6-carbonitrile
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:68311-05-7
Pubchem (cid):109301
Pubchem (sid):135066503
 
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
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
octanal propylene glycol acetal
FL/FR
aldehydic
aldehydic
geranyl oxyacetaldehyde
FR
muguet undecadienal
FR
balsamic
betula pubescens bud oil
FL/FR
cinnamyl formate
FL/FR
fir balsam absolute
FR
fir balsam absolute replacer
FL/FR
fir balsam concrete
FR
spruce needle absolute
FL/FR
valerian rhizome absolute
FL/FR
verbenol
FL/FR
citrus
citral dimethyl acetal
FL/FR
(E)-4-
decenal
FL/FR
elemi oil replacer
FR
grapefruit pentanol
FR
lime oil fractions
FR
marine decadienal
FR
alpha-
methylene citronellal
FR
myrmac aldehyde
FR
neroli ketone
FR
10-
undecen-1-ol
FL/FR
dry
autumn specialty
FR
fatty
2-
decenal
FL/FR
floral
amyl benzoate
FL/FR
anisyl propanal / methyl anthranilate schiff's base
FR
alpha-
butyl cinnamaldehyde
FL/FR
citronellyl acetate
FL/FR
citronellyl propionate
FL/FR
coriander seed oil terpeneless
FL/FR
cumin carbinol
FR
cuminyl acetaldehyde
FL/FR
4-
cyclohexyl cyclohexanone
FR
dimethyl benzyl carbinol
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
6,8-
dimethyl-2-nonanol
FR
ethyl 2-benzyl butyrate
FL/FR
farnesyl acetate
FL/FR
floral butanal
FR
geranium oil bourbon
FL/FR
geranyl acetone
FL/FR
geranyl isobutyrate
FL/FR
glycoacetal
FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal diethyl acetal
FL/FR
jasmin cyclopentanol
FR
karo karounde absolute
FR
karo karounde absolute replacer
FR
linalool
FL/FR
melaleuca ericifolia leaf oil
FR
mimosa absolute france
FL/FR
muguet carboxaldehyde
FR
neroli oil bigarde
FL/FR
nerolidol
FL/FR
ocean propanal
FL/FR
ocean propanal / methyl anthranilate schiff's base
FR
beta-
ocimene
FL/FR
orange leaf absolute
FL/FR
orris rhizome absolute (iris germanica)
FL/FR
papaya isobutyrate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
2-
phenyl propionaldehyde ethylene glycol acetal
FR
rose butanoate
FL/FR
styralyl formate
FL/FR
terpinyl isobutyrate
FL/FR
verdyl acetate
FR
fresh
decyl vinyl ether
FR
fruity
apple ketal
FL/FR
benzyl methyl ether
FL/FR
cyclohexyl crotonate
FR
1,4-
dibutyl-6,8-dioxabicyclo(3.2.1)octane
FR
1,4-
diisopropyl-6,8-dioxabicyclo(3.2.1)octane
FR
dimethyl succinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
grapefruit acetal
FR
green acetate
FR
peach pivalate
FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
bergoxane
FR
iso
butyl benzyl carbinol
FL/FR
chrysanthemum oxide
FL/FR
citral / diisotridecyl acetal
FR
decanal propylene glycol acetal
FL/FR
earthy acetal
FL/FR
elemi specialty
FR
alpha-
elemol
FL/FR
flower hexene
FR
forest fragrance
FR
galbanum oil
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
galbanum resinoid replacer
FR
green heptenal
FR
heptanal (aldehyde C-7)
FL/FR
1-
heptanol
FL/FR
(Z)-3-
hexen-1-yl oxyacetaldehyde
FR
(E)-2-
hexen-1-yl salicylate
FR
ivy carbaldehyde / methyl anthranilate schiff's base
FR
ivy dioxolane
FR
methyl cyclocitrone (IFF)
FR
para-
methyl hydratropaldehyde
FL/FR
methyl octine carbonate
FL/FR
4-
methyl-4-phenyl pentanone
FR
octanal dimethyl acetal
FL/FR
octyl oxyacetaldehyde
FR
phenoxyacetaldehyde 50% in benzyl alcohol
FR
phenyl acetaldehyde
FL/FR
terpinyl propionate
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
hay
para-
methyl phenoxyacetaldehyde
FR
herbal
bornyl salicylate
FR
(+)-alpha-
campholenic aldehyde
FL/FR
canarium luzonicum oil
FL/FR
clary sage absolute
FL/FR
2-
cyclohexyl cyclohexanone
FR
iso
dihydrolavandulal
FL/FR
floral nitrile
FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
nonisyl formate
FR
3-
octyl acetate
FL/FR
savin wood oil (juniperus phoenicea)
FL/FR
tricyclo(5.2.1.02,6)dec-3-enyl acetate
FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
leafy
autumn fragrance
FR
marine
marine carbonitrile
FR
marine hexane
FR
marine pyridine
FR
ocean carboxaldehyde
FR
ozone propanal
FR
melon
melon heptenal
FL/FR
(Z)-6-
nonenal
FL/FR
minty
iso
pulegol
FL/FR
(-)-iso
pulegol
FL/FR
2,4,4,6-
tetramethyl cyclohexa-2,5-diene-1-one
FR
mossy
oakmoss absolute
FL/FR
orris
iso
eugenyl formate
FL/FR
pine
pine oil 85
FR
spicy
iso
cyclogeraniol (IFF)
FR
2,5-
dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate
FR
2-
octanol
FL/FR
black
pepper oil CO2 extract
FL/FR
terpenic
juniper branch oil
FR
alpha-
phellandrene
FL/FR
waxy
3-
decanone
FL/FR
woody
bruyere root absolute
FR
costus specialty
FR
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
humulus lupulus extract
FL/FR
juniper fragrance
FR
moss naphthaleneol
FR
(±)-
tetrahydronootkatone
FL/FR
woody heptene
FR
xanthoxylum alatum roxb. oil
FR
For Flavor
No flavor group found for these
amyl benzoate
FL/FR
betula pubescens bud oil
FL/FR
decanal propylene glycol acetal
FL/FR
3-
decanone
FL/FR
earthy acetal
FL/FR
alpha-
elemol
FL/FR
ethyl 2-benzyl butyrate
FL/FR
iso
eugenyl formate
FL/FR
octanal propylene glycol acetal
FL/FR
savin wood oil (juniperus phoenicea)
FL/FR
styralyl formate
FL/FR
terpinyl isobutyrate
FL/FR
(±)-
tetrahydronootkatone
FL/FR
10-
undecen-1-ol
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
alpha-
butyl cinnamaldehyde
FL/FR
amber
amber
iso
butyl benzyl carbinol
FL/FR
balsamic
fir balsam absolute replacer
FL/FR
spruce needle absolute
FL/FR
camphoreous
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
citrus
citral dimethyl acetal
FL/FR
linalool
FL/FR
fatty
2-
decenal
FL/FR
floral
citronellyl acetate
FL/FR
citronellyl propionate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
farnesyl acetate
FL/FR
geranium oil bourbon
FL/FR
geranyl acetone
FL/FR
geranyl isobutyrate
FL/FR
neroli oil bigarde
FL/FR
ocean propanal
FL/FR
orange leaf absolute
FL/FR
fruity
apple ketal
FL/FR
benzyl methyl ether
FL/FR
dimethyl succinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
rose butanoate
FL/FR
valerian rhizome absolute
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
canarium luzonicum oil
FL/FR
chrysanthemum oxide
FL/FR
clary sage absolute
FL/FR
cuminyl acetaldehyde
FL/FR
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
galbanum oil
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
melon heptenal
FL/FR
para-
methyl hydratropaldehyde
FL/FR
methyl octine carbonate
FL/FR
nerolidol
FL/FR
(Z)-6-
nonenal
FL/FR
oakmoss absolute
FL/FR
beta-
ocimene
FL/FR
octanal dimethyl acetal
FL/FR
3-
octyl acetate
FL/FR
papaya isobutyrate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
terpinyl propionate
FL/FR
herbal
coriander seed oil terpeneless
FL/FR
iso
dihydrolavandulal
FL/FR
verbenol
FL/FR
honey
phenyl acetaldehyde
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
melon
hydroxycitronellal diethyl acetal
FL/FR
minty
iso
pulegol
FL/FR
(-)-iso
pulegol
FL/FR
ripe
(E)-4-
decenal
FL/FR
solvent
1-
heptanol
FL/FR
spicy
cinnamyl formate
FL/FR
2-
octanol
FL/FR
black
pepper oil CO2 extract
FL/FR
sweet
orris rhizome absolute (iris germanica)
FL/FR
terpenic
alpha-
phellandrene
FL/FR
waxy
alpha-
hexyl cinnamaldehyde
FL/FR
mimosa absolute france
FL/FR
woody
humulus lupulus extract
FL/FR
 
Potential Uses:
FRacacia
FRagrumen aldehyde
 algae
 amaryllis
FRapple green apple
FLartichoke
FL/FRasafoetida
 ash mountain ash
FLasparagus
FRavocado
FRbasil oil replacer
FRbayberry
FRbergamot
FRbois de rose
FRboronia
 boxwood blossom
 boxwoodberry
FLbuchu leaf
FRcalamus oil replacer
FRcardamom oil replacer
FLcarrot
FL/FRcarrot seed
FRcelery
FRchamomile
FL/FRcilantro
FL/FRcistus
FRcitronella
FRclary sage oil replacer
FRclematis
FRcognac
 cortex
FRcostus
FL/FRcroton eluteria bark
FRcucumber
FL/FRcurrant bud absolute replacer
FRcypress oil replacer
FRdaffodil
FL/FRdill weed
FRdogwood
FRelemi
FRevergreen
FRfennel
FRfern
FRfig
 foliage
FRforest
FL/FRgalangal root
FRgalbanum
FRgeranium
FRginger
FRgingergrass
 grass
FRgreen
FRgreen grass
FRgreen leaf
FRguava
FRheather
FRhop
FRhyacinth
FRhydrangea
FL/FRhyssop
FRiris blossom
FRivy
FRjonquil
 leaf
 lettuce
 liverwort
FRlotus
FRmimosa
FRnarcissus
FL/FRorange bitter orange peel
FRoregano
FRorris
FRosmanthus
 ozone
FRpansy
FL/FRparsley leaf
 pea green pea
FLpear prickly pear
FLpepper bell pepper
FRpine forest
 privet
 privet blossom
FRreseda
FRrhubarb
FRrose geranium
FL/FRrose leaf
FL/FRsavin
 stem
 strawberry leaf
FRsweet grass
FL/FRtarragon oil replacer
FLtomato
FRtomato leaf
FL/FRvalerian
FLvegetable
 vegetation tropical hothouse vegetation
 vine
FRviolet leaf
 weedy
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 bicyclo(2.2.2)oct-5-ene-2-carbonitrile, 5-methyl-7-(1-methylethyl)-
 bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 5-methyl-7-(1-methylethyl)-
 fresh nitrile
isofreshal nitrile
2-methyl-5-isopropylbicyclo(2.2.2)oct-2-ene-8-nitrile
2-methyl-5-propan-2-ylbicyclo[2.2.2]oct-2-ene-8-carbonitrile
3-methyl-7-propan-2-ylbicyclo[2.2.2]oct-2-ene-6-carbonitrile
7-isopropyl-5-methyl bicyclo(2.2.2)oct-5-ene-2-carbonitrile
7-isopropyl-5-methyl bicyclooctene-2-carbonitrile
7-isopropyl-5-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile
 

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