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

cuminyl nitrile
4-isopropylbenzonitrile

Supplier Sponsors

Fragrance Demo Formulas
Name:4-propan-2-ylbenzonitrile
CAS Number: 13816-33-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:237-492-3
FDA UNII:4V31KQF934
Nikkaji Web:J132.029G
Beilstein Number:1932883
MDL:MFCD00052966
XlogP3:3.00 (est)
Molecular Weight:145.20467000
Formula:C10 H11 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
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:pale yellow to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 230.00 to 231.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.062000 mmHg @ 25.00 °C. (est)
Flash Point: 200.00 °F. TCC ( 93.33 °C. )
logP (o/w): 3.091 (est)
Soluble in:
 alcohol
 water, 119.5 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: spicy
Odor Strength:medium ,
recommend smelling in a 1.00 % solution or less
Substantivity: < 4 hour(s) at 100.00 %
spicy cumin dry green
Odor Description:at 1.00 % in dipropylene glycol. spicy cumin dry green
Luebke, William tgsc, (1995)
Odor sample from: Synarome Corporation
Odor and/or flavor descriptions from others (if found).
Givaudan
Cumin Nitrile
Odor Description:Spicy, Cumin, Green.
Cumin Nitrile is a spicy cuminic ingredient, with a dry character and a hint of green. Cumin Nitrile is less pungent than the aldehyde but more stable and tenacious.
Perfumery Laboratory
Cumin NITRILE 10 (CUMINYL NITRILE 10)
Odor Description:Spicy and warm aroma of cumin with a touch of greenery
Nactis Flavours
CUMINYL NITRILE
Odor Description:powerful natural note mixing cumin, caraway, cinnamon, woody and fur notes
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Ernesto Ventós
SPICENYLE (CUMINIC NITRILE) SYNAROME
Odor: SPICY, CUMIN
Givaudan
Cumin Nitrile
Odor: Spicy, Cumin, Green.
Use: Cumin Nitrile is a spicy cuminic ingredient, with a dry character and a hint of green. Cumin Nitrile is less pungent than the aldehyde but more stable and tenacious.
Indukern F&F
CUMINYL NITRILE
Odor: CUMIN
Lluch Essence
CUMIN NITRILE
Moellhausen
CUMINYL NITRILE
Nactis Flavours
CUMINYL NITRILE
Odor: powerful natural note mixing cumin, caraway, cinnamon, woody and fur notes
PCW France
Cumin Nitrile
Steps to a fragranced product
Penta International
CUMINYL NITRILE
Perfumery Laboratory
Cumin NITRILE 10 (CUMINYL NITRILE 10)
Odor: Spicy and warm aroma of cumin with a touch of greenery
Santa Cruz Biotechnology
For experimental / research use only.
4-isopropylbenzonitrile 95%
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-isoPropylbenzonitrile
Tadimety Aromatics
Cuminic Nitrile
Odor: Spicy, Green, Cuminic
Vigon International
Cumin Nitrile
Odor: Spicy, Cumin, Green
 
Safety Information:
Preferred SDS: View
 
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 3900 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 837, 1983.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 837, 1983.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for cuminyl nitrile usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Recommendation for cuminyl nitrile flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):13816-33-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :26289
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-propan-2-ylbenzonitrile
Chemidplus:0013816336
 
References:
 4-propan-2-ylbenzonitrile
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13816-33-6
Pubchem (cid):26289
Pubchem (sid):134989628
 
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
9-
decenal
FL/FR
dodecanal (aldehyde C-12 lauric)
FL/FR
nonanal (aldehyde C-9)
FL/FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
amber
ambroxan
FL/FR
cistus ladaniferus resinoid
FR
animal
iso
butyl quinoline
FR
costus valerolactone
FR
para-
cresyl caprylate
FL/FR
balsamic
amyris wood oil
FL/FR
siam
benzoin resinoid
FL/FR
benzophenone
FR
benzyl benzoate
FL/FR
benzyl salicylate
FL/FR
laevo-
bornyl acetate
FL/FR
iso
bornyl acetate
FL/FR
iso
butyl cinnamate
FL/FR
cinnamyl alcohol
FL/FR
clover nitrile
FR
ethyl cinnamate
FL/FR
fir balsam absolute
FR
methyl (E)-cinnamate
FL/FR
3-
phenyl propyl alcohol
FL/FR
berry
raspberry ketone
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
valencene
FL/FR
coconut
gamma-
heptalactone
FL/FR
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
gamma-
octalactone
FL/FR
dry
autumn specialty
FR
fatty
coconut absolute
FL/FR
decanol
FL/FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
iso
amyl salicylate
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
dimethyl anthranilate
FL/FR
dimethyl benzyl carbinol
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
ethyl phenyl acetate
FL/FR
floral pyranol
FR
geraniol
FL/FR
heliotropin
FL/FR
heliotropyl diethyl acetal
FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
ho leaf oil
FR
hyacinth ether
FR
hydroxycitronellal
FL/FR
leerall
FR
laevo-
linalool
FL/FR
linalool
FL/FR
linalool oxide
FL/FR
para-
methyl acetophenone
FL/FR
methyl dihydrojasmonate
FL/FR
mimosa absolute france
FL/FR
muguet carboxaldehyde
FR
nerol
FL/FR
nerolidol
FL/FR
nonanol
FL/FR
ocean propanal
FL/FR
orris pyridine 25% IPM
FR
phenethyl alcohol
FL/FR
phenethyl phenyl acetate
FL/FR
phenethyl salicylate
FL/FR
rhodinol
FL/FR
rose butanoate
FL/FR
tetrahydrolinalool
FL/FR
violet methyl carbonate
FR
fruity
(E)-beta-
damascone
FL/FR
gamma-
decalactone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
1,2-
dimethyl butyl 2-butenoate
FR
green acetate
FR
methyl anthranilate
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
galbanum absolute replacer
FR
galbanum oil
FL/FR
geranic acid
FL/FR
hexyl 2-methyl butyrate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
oakmoss oil
FR
phenyl acetaldehyde
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
hay
hay absolute
FR
herbal
carum carvi fruit oil
FL/FR
clary sage oil france
FL/FR
linalyl acetate
FL/FR
linalyl octanoate
FL/FR
nopyl acetate
FR
marine
marine pyridine
FR
melon
watermelon ketone
FR
mossy
oakmoss absolute
FL/FR
veramoss (IFF)
FR
naphthyl
beta-
naphthyl ethyl ether
FL/FR
powdery
para-
anisyl alcohol
FL/FR
spicy
allspice oil
FL/FR
benzyl isoeugenol
FL/FR
cassia bark oil china
FL/FR
(E)-
cinnamyl nitrile
FR
methyl isoeugenol
FL/FR
nutmeg oil
FL/FR
black
pepper oil
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
(±)-1,2,5,6-
tetrahydrocuminic acid
FL/FR
terpenic
frankincense oil
FL/FR
alpha-
terpineol
FL/FR
tonka
coumarin
FR
gamma-
hexalactone
FL/FR
tonka bean absolute
FR
vanilla
ethyl vanillin
FL/FR
vanillyl acetate
FL/FR
waxy
decyl acetate
FL/FR
1-
dodecanol
FL/FR
ethyl laurate
FL/FR
1-
undecanol
FL/FR
woody
amber carbinol
FR
cedarwood oil western red
FR
cistus twig/leaf oil
FL/FR
guaiacwood oil
FL/FR
methyl cedryl ketone
FL/FR
patchouli ethanone
FR
patchouli oil
FL/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
9-
decenal
FL/FR
methyl (E)-cinnamate
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
(±)-1,2,5,6-
tetrahydrocuminic acid
FL/FR
aldehydic
aldehydic
nonanal (aldehyde C-9)
FL/FR
1-
undecanol
FL/FR
animal
para-
cresyl caprylate
FL/FR
balsamic
siam
benzoin resinoid
FL/FR
benzyl benzoate
FL/FR
benzyl salicylate
FL/FR
laevo-
bornyl acetate
FL/FR
iso
butyl cinnamate
FL/FR
ethyl cinnamate
FL/FR
berry
raspberry ketone
FL/FR
cherry
heliotropin
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
nerol
FL/FR
alpha-
terpineol
FL/FR
valencene
FL/FR
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
creamy
gamma-
hexalactone
FL/FR
para-
methyl acetophenone
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
fatty
coconut absolute
FL/FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
floral
bois de rose oil brazil
FL/FR
citronellol
FL/FR
dimethyl benzyl carbinyl acetate
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
rhodinol
FL/FR
tetrahydrolinalool
FL/FR
fruity
para-
anisyl alcohol
FL/FR
(E)-beta-
damascone
FL/FR
gamma-
decalactone
FL/FR
dimethyl anthranilate
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
linalyl octanoate
FL/FR
methyl anthranilate
FL/FR
rose butanoate
FL/FR
green
iso
amyl salicylate
FL/FR
cinnamyl alcohol
FL/FR
cyclamen aldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
galbanum oil
FL/FR
geranic acid
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
hexyl 2-methyl butyrate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
linalool oxide
FL/FR
nerolidol
FL/FR
oakmoss absolute
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
herbal
carum carvi fruit oil
FL/FR
clary sage oil france
FL/FR
coriander seed oil
FL/FR
honey
ethyl phenyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
lactonic
gamma-
heptalactone
FL/FR
gamma-
octalactone
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
phenethyl salicylate
FL/FR
powdery
beta-
naphthyl ethyl ether
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
1-
dodecanol
FL/FR
spicy
allspice oil
FL/FR
benzyl isoeugenol
FL/FR
cassia bark oil china
FL/FR
methyl isoeugenol
FL/FR
nutmeg oil
FL/FR
black
pepper oil
FL/FR
3-
phenyl propyl alcohol
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
vanilla
ethyl vanillin
FL/FR
vanillyl acetate
FL/FR
waxy
decanol
FL/FR
decyl acetate
FL/FR
ethyl laurate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
mimosa absolute france
FL/FR
nonanol
FL/FR
woody
ambroxan
FL/FR
amyris wood oil
FL/FR
iso
bornyl acetate
FL/FR
cistus twig/leaf oil
FL/FR
frankincense oil
FL/FR
guaiacwood oil
FL/FR
methyl cedryl ketone
FL/FR
patchouli oil
FL/FR
vetiver oil haiti
FL/FR
 
Potential Uses:
FRacacia
FRbalsam
FRblackberry
 boldus oil replacer
FLcake
FL/FRcaraway seed
FRcinnamon
FLcookie
FRcumin oil replacer
FRcurrant black currant
FL/FRdill weed
FReucalyptus oil replacer
FRfern
FRgooseberry
FRgreen
FRhawthorn
FRhay new mown hay
FRheather
FRherbal
FLlettuce
FRlilac
FRlily
FRlily of the valley
FRmagnolia
FRmimosa
FRmoss
FRmyrrh
FL/FRorange bitter orange peel
FRoriental
FRorris
FRpine
FRprivet
FRreseda
FRrose white rose
FRsap
FRspice
FRstrawberry
FLvegetable
FRviolet
FRwallflower
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzonitrile, 4-(1-methylethyl)-
 benzonitrile, p-isopropyl-
 cumin nitrile
 cuminic nitrile
 cuminonitrile
4-cyanocumene
p-cyanocumene
para-cyanocumene
4-(1-methyl ethyl) benzonitrile
4-(1-methyl ethyl)-1-benzene carbonitrile
4-(1-methylethyl)-1-benzenecarbonitrile
4-(methylethyl)benzenecarbonitrile
4-(1-methylethyl)benzonitrile
4-propan-2-ylbenzonitrile
4-isopropyl benzonitrile
p-isopropyl benzonitrile
para-isopropyl benzonitrile
4-isopropylbenzonitrile
p-isopropylbenzonitrile
para-isopropylbenzonitrile
 specenyle (Synarome)
 spicenyle (Synarome)
 
 
Notes:
None found
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