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

grapefruit nitrile
khusinil (IFF)

Supplier Sponsors

Fragrance Demo Formulas
Name:2,2-dimethyl-4-phenylpentanenitrile
CAS Number: 75490-39-0Picture of molecule3D/inchi
ECHA ELINCS - REACH Pre-Reg:422-580-8
XlogP3-AA:3.50 (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 to pale yellow clear liquid (est)
Food Chemicals Codex Listed: No
Boiling Point: 294.00 to 295.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 2.895
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
 water, 14.67 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: citrus
Odor Strength:medium
Substantivity:68 hour(s) at 10.00 % in dipropylene glycol
citrus gardenia grapefruit burnt autumn leafy vetiver
Odor Description:at 100.00 %. citrus gardenia grapefruit burnt autumn leaves vetiver
Luebke, William tgsc, (2009)
Odor sample from: International Flavors & Fragrances Inc.
Odor and/or flavor descriptions from others (if found).
IFF
Khusinil
Odor Description:Adds sparkle and bloom to most compounds. Grapefruit, rhubarb, vetivert, green, woody
Pell Wall Perfumes
Khusinil
Odor Description:Citrus-grapefruit, fruity-rhubarb, woody, green, vetivert
Arcadi Boix Camps, writing in 2009, when it was still a captive, tells us that it is “chemically related to Symrise’s Hydrocitronitrile but it smells totally different. It is extraordinarily citrussy-grapefruitlike with a torrent of freshness within its molecule.”
 
Cosmetic Information:
None found
 
Suppliers:
Agan Aroma and Fine Chemicals
Pomelone
Odor: Citrus, grapefruit, vetiver, green
Azelis UK
KHUSINIL
Services
BOC Sciences
For experimental / research use only.
vPhenyl-2,2,4- trimethylbutannitrile
Ernesto Ventós
KHUSINIL IFF
Odor: CITRUS,GRAPEFRUIT,VETIVER,GREEN
Fine Fragrances Pvt Ltd
Khusinil
IFF
Khusinil
Odor: Adds sparkle and bloom to most compounds. Grapefruit, rhubarb, vetivert, green, woody
M&U International
Khusinil(IFF# : 110581)
Pell Wall Perfumes
Khusinil
Odor: Citrus-grapefruit, fruity-rhubarb, woody, green, vetivert
Use: Arcadi Boix Camps, writing in 2009, when it was still a captive, tells us that it is “chemically related to Symrise’s Hydrocitronitrile but it smells totally different. It is extraordinarily citrussy-grapefruitlike with a torrent of freshness within its molecule.”
Perfumery Laboratory
Cousineau IFF (KHUSINIL IFF)
Odor: citrus, gardenia, grapefruit, burned autumn leaves fragrance with a note of vetiver
Taytonn
Khusinil
Odor: Citrus, Herbal/ Herbaceous, Vetivert
 
Safety Information:
European information :
Most important hazard(s):
Xn N - Harmful, Dangerous for the environment.
R 22 - Harmful if swallowed.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
 
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 grapefruit nitrile usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Recommendation for grapefruit nitrile flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):75490-39-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :156605
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2,2-dimethyl-4-phenylpentanenitrile
Chemidplus:0075490390
 
References:
 2,2-dimethyl-4-phenylpentanenitrile
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):156605
Pubchem (sid):135258176
 
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
amber
acetoxymethyl isolongifolene
FR
amber spirolene
FR
formoxymethyl isolongifolene
FR
animal
iso
butyl quinoline
FR
balsamic
brachyleana hutchinsii wood oil
FR
citrus
benzyl anthranilate
FR
dimethyl octenone
FR
2,4-
dimethyl-3-cyclohexene-1-methanyl acetate
FR
grapefruit indene
FR
grapefruit oil c.p. california
FL/FR
grapefruit oil CO2 extract (citrus paradisi macf. var. falvedo)
FL/FR
grapefruit oil terpeneless
FL/FR
grapefruit pentanol
FR
lemon oil residues
FL/FR
mandarin oil (citrus reticulata nova var. mandarin) uruguay
FL/FR
5-
mercapto-5-methyl-3-hexanone
FL/FR
(+)-
nootkatone
FL/FR
philodendron solimoesense specialty
FR
rhubafuran
FR
alpha-
terpinyl methyl ether
FL/FR
(±)-2,4,8-
trimethyl-7-nonen-2-ol
FL/FR
valencene
FL/FR
earthy
patchouli cyclohexanol
FR
floral
alpha-
ionol
FL/FR
alpha-
ionyl acetate
FR
magnolia indene
FR
methyl ionyl acetate
FL/FR
phenyl glycol diacetate
FR
undecanal dimethyl acetal
FR
vetiver pentanone
FR
green
bergoxane
FR
(2-
methoxy-1-methyl butyl) benzene
FR
terpenic
alpha-
terpineol
FL/FR
waxy
1-
undecanol
FL/FR
woody
amyris acetate
FR
iso
butyl ionone
FR
cedar cyclododecatriene
FR
cedryl formate
FR
herbal norbornane
FR
methyl cedryl ketone
FL/FR
alpha-iso
methyl ionol
FR
iso
methyl tetrahydroionyl acetate
FR
vetiveryl acetate
FL/FR
For Flavor
No flavor group found for these
lemon oil residues
FL/FR
5-
mercapto-5-methyl-3-hexanone
FL/FR
vetiveryl acetate
FL/FR
aldehydic
aldehydic
1-
undecanol
FL/FR
citrus
grapefruit oil c.p. california
FL/FR
grapefruit oil CO2 extract (citrus paradisi macf. var. falvedo)
FL/FR
grapefruit oil terpeneless
FL/FR
mandarin oil (citrus reticulata nova var. mandarin) uruguay
FL/FR
(+)-
nootkatone
FL/FR
alpha-
terpineol
FL/FR
(±)-2,4,8-
trimethyl-7-nonen-2-ol
FL/FR
valencene
FL/FR
woody
alpha-
ionol
FL/FR
methyl cedryl ketone
FL/FR
methyl ionyl acetate
FL/FR
alpha-
terpinyl methyl ether
FL/FR
 
Potential Uses:
FRcitrus
FRgrapefruit
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzenebutanenitrile, a,a,g-trimethyl-
2,2-dimethyl-4-phenylpentanenitrile
 khusinil (IFF)
alpha,alpha,gamma-trimethyl benzene butane nitrile
alpha,alpha,gamma-trimethyl benzenebutanenitrile
2,2,4-trimethyl-4-phenyl butane nitrile
2,2,4-trimethyl-4-phenyl butanenitrile
2,2,4-trimethyl-4-phenylbutane nitrile
 

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