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

floral nitrile
fleuranil (IFF)

Sponsors

Fragrance Demo Formulas
Name:3-(4-ethylphenyl)-2,2-dimethylpropanenitrile
CAS Number: 134123-93-6Picture of molecule3D/inchi
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
 
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.
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
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:medium
Substantivity:304 hour(s) at 100.00 %
ozone marine seashore anisic herbal
Odor Description:at 100.00 %. ozone marine seashell anisic herbal
Luebke, William tgsc, (2007)
Odor sample from: International Flavors & Fragrances Inc.
Odor and/or flavor descriptions from others (if found).
IFF
Fleuranil
Odor Description:Gives fresh, floral, ozone, salted, basillic herbal notes with good diffusion
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Azelis UK
FLEURANIL
Services
BOC Sciences
For experimental / research use only.
Benzenepropanenitrile,4-ethyl-.a.,.a.-dimethyl-
Ernesto Ventós
FLEURANIL IFF
Odor: HERBAL, ANISIC, FRESH
Fine Fragrances Pvt Ltd
Fleuranil
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
 
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

Dermal Toxicity:
skin-rat LD50 > 2000 mg/kg

Inhalation Toxicity:
Not determined
 
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.
 
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
 
References:
 3-(4-ethylphenyl)-2,2-dimethylpropanenitrile
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):164355
Pubchem (sid):135119697
 
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
 
Potential Blenders and core components note
For Odor
aldehydic
citrus carbaldehyde
FR
nonanal (aldehyde C-9)
FL/FR
animal
iso
butyl quinoline
FR
anisic
para-
anisaldehyde
FL/FR
methyl para-anisate
FL/FR
ocimum basilicum herb oil
FL/FR
ocimum basilicum leaf oil america
FL/FR
balsamic
iso
amyl benzoate
FL/FR
amyris wood oil
FL/FR
siam
benzoin resinoid
FL/FR
benzyl cinnamate
FL/FR
benzyl salicylate
FL/FR
iso
butyl cinnamate
FL/FR
cinnamyl alcohol
FL/FR
clover nitrile
FR
ethyl cinnamate
FL/FR
fir balsam absolute
FR
fir needle oil siberia
FL/FR
methyl (E)-cinnamate
FL/FR
3-
phenyl propyl alcohol
FL/FR
berry
raspberry ketone methyl ether
FL/FR
caramellic
ethyl maltol
FL/FR
strawberry furanone
FL/FR
chocolate
iso
amyl phenyl acetate
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
fatty
decanol
FL/FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
iso
amyl salicylate
FL/FR
anise indene
FR
benzyl acetate
FL/FR
bois de rose oil brazil
FL/FR
citronellol
FL/FR
coriander seed oil
FL/FR
cyclamen aldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
9-
decen-1-ol
FL/FR
dimethyl benzyl carbinol
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
floral pyranol
FR
geraniol
FL/FR
heliotropyl diethyl acetal
FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hyacinth ether
FR
hydroxycitronellal
FL/FR
leerall
FR
linalool
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
methyl dihydrojasmonate
FL/FR
muguet carboxaldehyde
FR
nerol
FL/FR
nerolidol
FL/FR
nonanol
FL/FR
ocean propanal
FL/FR
orris pyridine 25% IPM
FR
peony alcohol
FR
phenethyl acetate
FL/FR
phenethyl alcohol
FL/FR
phenethyl propionate
FL/FR
rhodinol
FL/FR
rose butanoate
FL/FR
tetrahydrolinalool
FL/FR
violet methyl carbonate
FR
fresh
decyl methyl ether
FR
fruity
allyl amyl glycolate
FR
allyl cyclohexyl propionate
FL/FR
iso
amyl butyrate
FL/FR
benzyl propionate
FL/FR
(E)-beta-
damascone
FL/FR
gamma-
decalactone
FL/FR
green acetate
FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
diphenyl oxide
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl tiglate
FL/FR
melon nonenoate
FL/FR
hay
beeswax absolute
FL/FR
herbal
clary sage oil france
FL/FR
daucus carota fruit oil
FL/FR
linalyl acetate
FL/FR
6-
methoxy-2,6-dimethyl octanal
FR
marine
ambergris natural
FR
marine carbonitrile
FR
marine hexane
FR
marine pyridine
FR
ozone propanal
FR
melon
watermelon ketone
FR
mossy
sea resorcylate
FR
veramoss (IFF)
FR
naphthyl
beta-
naphthyl ethyl ether
FL/FR
powdery
para-
anisyl acetate
FL/FR
para-
anisyl alcohol
FL/FR
spicy
benzyl isoeugenol
FL/FR
cassia bark oil china
FL/FR
clove bud oil
FL/FR
iso
eugenyl acetate
FL/FR
alpha-
methyl cinnamaldehyde
FL/FR
methyl isoeugenol
FL/FR
black
pepper oil
FL/FR
pimenta acris leaf oil
FL/FR
terpenic
alpha-
terpineol
FL/FR
tonka
tonka bean absolute
FR
vanilla
ethyl vanillin
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
vanillyl acetate
FL/FR
woody
amber carbinol
FR
marine formate
FR
methyl cedryl ketone
FL/FR
patchouli ethanone
FR
santall
FR
tobacarol (IFF)
FR
vetiver oil haiti
FL/FR
woody acetate
FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
methyl (E)-cinnamate
FL/FR
methyl para-anisate
FL/FR
aldehydic
aldehydic
nonanal (aldehyde C-9)
FL/FR
balsamic
siam
benzoin resinoid
FL/FR
benzyl salicylate
FL/FR
iso
butyl cinnamate
FL/FR
ethyl cinnamate
FL/FR
fir needle oil siberia
FL/FR
berry
raspberry ketone methyl ether
FL/FR
brown
beeswax absolute
FL/FR
caramellic
ethyl maltol
FL/FR
strawberry furanone
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
nerol
FL/FR
alpha-
terpineol
FL/FR
creamy
para-
anisaldehyde
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
floral
iso
amyl phenyl acetate
FL/FR
bois de rose oil brazil
FL/FR
citronellol
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geraniol
FL/FR
linalyl acetate
FL/FR
methyl dihydrojasmonate
FL/FR
ocean propanal
FL/FR
phenethyl alcohol
FL/FR
phenethyl propionate
FL/FR
rhodinol
FL/FR
tetrahydrolinalool
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
iso
amyl benzoate
FL/FR
para-
anisyl acetate
FL/FR
para-
anisyl alcohol
FL/FR
benzyl acetate
FL/FR
benzyl propionate
FL/FR
(E)-beta-
damascone
FL/FR
gamma-
decalactone
FL/FR
rose butanoate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
green
iso
amyl salicylate
FL/FR
cinnamyl alcohol
FL/FR
cyclamen aldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
diphenyl oxide
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl tiglate
FL/FR
linalool oxide
FL/FR
melon nonenoate
FL/FR
nerolidol
FL/FR
herbal
clary sage oil france
FL/FR
coriander seed oil
FL/FR
daucus carota fruit oil
FL/FR
ocimum basilicum herb oil
FL/FR
ocimum basilicum leaf oil america
FL/FR
honey
phenethyl acetate
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
powdery
beta-
naphthyl ethyl ether
FL/FR
spicy
benzyl cinnamate
FL/FR
benzyl isoeugenol
FL/FR
cassia bark oil china
FL/FR
clove bud oil
FL/FR
iso
eugenyl acetate
FL/FR
alpha-
methyl cinnamaldehyde
FL/FR
methyl isoeugenol
FL/FR
black
pepper oil
FL/FR
3-
phenyl propyl alcohol
FL/FR
pimenta acris leaf oil
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
vanilla
ethyl vanillin
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
vanillyl acetate
FL/FR
waxy
iso
amyl butyrate
FL/FR
decanol
FL/FR
9-
decen-1-ol
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
nonanol
FL/FR
woody
amyris wood oil
FL/FR
methyl cedryl ketone
FL/FR
vetiver oil haiti
FL/FR
 
Potential Uses:
FRfloral
FRherbal
FRlilac
 ocean sea
 ozone
 
Occurrence (nature, food, other):note
 not found in nature
 
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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