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

geranyl nitrile
citralva (IFF)

Sponsors

Fragrance Demo Formulas
Name:3,7-dimethylocta-2,6-dienenitrile
CAS Number: 5146-66-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:225-918-0
FDA UNII:MS598KEL3M
MDL:MFCD00001926
XlogP3-AA:3.30 (est)
Molecular Weight:149.23655000
Formula:C10 H15 N
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:(E)-geranyl nitrile
 (Z)-geranyl nitrile
Category:information only not used for fragrances or flavors
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:pale yellow clear liquid (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.85900 to 0.87900 @ 25.00 °C.
Pounds per Gallon - (est).: 7.148 to 7.314
Specific Gravity:0.86300 to 0.87100 @ 20.00 °C.
Pounds per Gallon - est.: 7.189 to 7.256
Refractive Index:1.47600 to 1.48100 @ 20.00 °C.
Boiling Point: 110.00 °C. @ 1.30 mm Hg
Boiling Point: 222.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.025000 mm/Hg @ 25.00 °C. (est)
Vapor Density:>1 ( Air = 1 )
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 2.989 (est)
Soluble in:
 alcohol
 water, 45.57 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 acid or alkali
 antiperspirant
 bleach
 detergent
 soap
 
Organoleptic Properties:
Odor Type: citrus
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:56 hour(s) at 100.00 %
Odor Description:at 10.00 % in dipropylene glycol. citrus lemon nitrile aldehydic metallic
Luebke, William tgsc, (1992)
Odor sample from: International Flavors & Fragrances Inc.
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: not used anymore
perfuming agents
 
Suppliers:
Augustus Oils
Citralva
Services
Berjé
Geranyl Nitrile
Happening at Berje
CG Herbals
Geranyl Nitrile
Odor: Citrus, lemon, green, lime
Use: In fragrances, provides greater stability than citral. Blends very well with all type of citrus notes, especially lemon. Sometimes used in small amounts to give and lift.
Fleurchem
geranyl nitrile
fnfsurplus.com
Citralva (73%)
fnfsurplus.com
Citralva (78%)
fnfsurplus.com
Citralva, Coloured
Global Essence
Geranyl Nitrile
Indenta Group
Geranyl Nitrile
Lluch Essence
GERANYL NITRILE
Penta International
CEROMEL
Penta International
GERANYL NITRILE REPLACEMENT
PerfumersWorld
Citralva
Odor: fresh citrusy floral lemon note citral
Phoenix Aromas & Essential Oils
Geranyl Nitrile
Reincke & Fichtner
Geranyl Nitrile
SRS Aromatics
GERANYL NITRILE
Taytonn
Geranyl Nitrile
Odor: Citrus, Green, Oily
TCI AMERICA
For experimental / research use only.
Geranyl Nitrile [mixture of (E)- and (Z)- isomers, (1:1)] >95.0%(GC)
The John D. Walsh Company
Citralva
The John D. Walsh Company
Geranyl Nitrile
Treatt
Geranyl Nitrile
 
Safety Information:
European information :
Most important hazard(s):
Xn - Harmful.
R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment.
R 68 - Possible risk of irreversible effects.
S 02 - Keep out of the reach of children.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 53 - Avoid exposure - obtain special instructions before use.
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:
oral-rat LD50 3100 mg/kg
International Flavors & Fragrances Inc.

Dermal Toxicity:
skin-rabbit LD50 4300 mg/kg
International Flavors & Fragrances Inc.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: information only not used for fragrances or flavors
IFRA: View Standard
Recommendation for geranyl nitrile usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
Recommendation for geranyl nitrile flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):5146-66-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :21768
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3082
WGK Germany:2
3,7-dimethylocta-2,6-dienenitrile
Chemidplus:0005146667
RTECS:RG5370000 for cas# 5146-66-7
 
References:
 3,7-dimethylocta-2,6-dienenitrile
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5146-66-7
Pubchem (cid):21768
Pubchem (sid):134988041
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2926.90.5050
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
citrus carbaldehyde
FR
dodecanal (aldehyde C-12 lauric)
FL/FR
2-
methyl undecanal (aldehyde C-12 mna)
FL/FR
nonanal (aldehyde C-9)
FL/FR
amber
angelica root oil
FL/FR
anisic
para-
anisaldehyde
FL/FR
balsamic
2-
acetyl furan
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
methyl (E)-cinnamate
FL/FR
3-
phenyl propyl alcohol
FL/FR
berry
raspberry ketone methyl ether
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
citral
FL/FR
citronellyl nitrile
FR
dihydromyrcenol
FL/FR
grapefruit oil c.p. california
FL/FR
grapefruit pentanol
FR
blood
orange oil italy
FL/FR
sweet
orange peel oil c.p. brazil
FL/FR
tetrahydromyrcenol
FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
iso
amyl salicylate
FL/FR
benzyl acetate
FL/FR
benzyl isobutyrate
FL/FR
bois de rose oil brazil
FL/FR
citronellol
FL/FR
citronellyl acetate
FL/FR
coriander seed oil
FL/FR
cyclamen aldehyde
FL/FR
ethyl phenyl acetate
FL/FR
floral pyranol
FR
gardenia oxide
FR
geraniol
FL/FR
geranyl acetate
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
leerall
FR
lilyall
FR
laevo-
linalool
FL/FR
linalool
FL/FR
linalool oxide
FL/FR
methyl dihydrojasmonate
FL/FR
muguet carboxaldehyde
FR
muguet octadienol
FR
nerol
FL/FR
nonanol
FL/FR
ocean propanal
FL/FR
bitter
orangeflower absolute morocco
FL/FR
orris pyridine 25% IPM
FR
petitgrain oil paraguay
FL/FR
phenethyl acetate
FL/FR
phenethyl isobutyrate
FL/FR
rhodinol
FL/FR
rose butanoate
FL/FR
tetrahydrolinalool
FL/FR
violet methyl carbonate
FR
fruity
allyl amyl glycolate
FR
iso
amyl butyrate
FL/FR
benzyl propionate
FL/FR
gamma-
decalactone
FL/FR
ethyl heptanoate
FL/FR
green acetate
FR
methyl anthranilate
FL/FR
para-
tolualdehyde
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
diphenyl oxide
FL/FR
galbanum oil
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
melon nonenoate
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
linalyl acetate
FL/FR
alpha-
terpinyl acetate
FL/FR
honey
methyl phenyl acetate
FL/FR
marine
marine pyridine
FR
naphthyl
beta-
naphthyl ethyl ether
FL/FR
powdery
para-
anisyl alcohol
FL/FR
spicy
methyl isoeugenol
FL/FR
terpenic
frankincense oil
FL/FR
alpha-
terpineol
FL/FR
vanilla
ethyl vanillin
FL/FR
vanillyl acetate
FL/FR
waxy
1-
dodecanol
FL/FR
woody
amber carbinol
FR
patchouli ethanone
FR
santall
FR
woody acetate
FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
methyl (E)-cinnamate
FL/FR
aldehydic
aldehydic
nonanal (aldehyde C-9)
FL/FR
balsamic
benzyl salicylate
FL/FR
iso
butyl cinnamate
FL/FR
ethyl cinnamate
FL/FR
berry
raspberry ketone methyl ether
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
citral
FL/FR
grapefruit oil c.p. california
FL/FR
linalool
FL/FR
laevo-
linalool
FL/FR
nerol
FL/FR
blood
orange oil italy
FL/FR
sweet
orange peel oil c.p. brazil
FL/FR
petitgrain oil paraguay
FL/FR
alpha-
terpineol
FL/FR
verbena oil france
FL
creamy
para-
anisaldehyde
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
floral
bois de rose oil brazil
FL/FR
citronellol
FL/FR
citronellyl acetate
FL/FR
geraniol
FL/FR
linalyl acetate
FL/FR
methyl dihydrojasmonate
FL/FR
methyl phenyl acetate
FL/FR
ocean propanal
FL/FR
bitter
orangeflower absolute morocco
FL/FR
rhodinol
FL/FR
tetrahydrolinalool
FL/FR
fruity
para-
anisyl alcohol
FL/FR
benzyl acetate
FL/FR
benzyl isobutyrate
FL/FR
benzyl propionate
FL/FR
gamma-
decalactone
FL/FR
ethyl heptanoate
FL/FR
methyl anthranilate
FL/FR
rose butanoate
FL/FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
iso
amyl salicylate
FL/FR
angelica root oil
FL/FR
cinnamyl alcohol
FL/FR
cyclamen aldehyde
FL/FR
dihydromyrcenol
FL/FR
diphenyl oxide
FL/FR
galbanum oil
FL/FR
geranyl acetate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
linalool oxide
FL/FR
melon nonenoate
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 acetate
FL/FR
phenethyl isobutyrate
FL/FR
nutty
2-
acetyl furan
FL/FR
powdery
beta-
naphthyl ethyl ether
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
1-
dodecanol
FL/FR
spicy
benzyl cinnamate
FL/FR
methyl isoeugenol
FL/FR
3-
phenyl propyl alcohol
FL/FR
para-
tolualdehyde
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
vanilla
ethyl vanillin
FL/FR
vanillyl acetate
FL/FR
waxy
iso
amyl butyrate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
2-
methyl undecanal (aldehyde C-12 mna)
FL/FR
nonanol
FL/FR
woody
frankincense oil
FL/FR
alpha-
terpinyl acetate
FL/FR
 
Potential Uses:
FRabronia
FRagrumen aldehyde
FRaldehydic
FRalmond
 almond blossom
FRapple
 apple crabapple
 ash mountain ash
 blue mist
FRbouquet
FRcedrat
FRcherry
FRcherry blossom
FLcherry wild cherry
FRchristmas
FRchypre
 cider
FRcitronella
FRcitrus
 cloudberry bakeapple
FRcologne
FRcolonia
 cortex
FRcrabapple blossom
FRdaffodil
FRelder berry
FRfir balsam
FRfloral
FRfrangipani plumeria
FRginger white ginger
FRgrapefruit
 green
FRguava
FRherbal
FRkumquat
FRlemon
FRlemongrass
FRlime
FRlinden flower
FL/FRlitsea cubeba
FL/FRmarigold
FRmuguet
FRmyrtle oil replacer
 neroli
 orange
 papaya
FRpassion fruit
FRpetitgrain
FL/FRpetitgrain bergamot petitgrain
FL/FRpetitgrain lemon petitgrain
FL/FRpetitgrain lime petitgrain
FL/FRpetitgrain mandarin oil replacer
 petitgrain orange petitgrain
 petitgrain tangerine petitgrain
 pineapple
 pomegranate
 rhubarb
 rose
FL/FRrue
 spice
FLstarfruit
 tangerine
FRverbena
FRwintergreen
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 citralva (IFF)
 citranile
3,7-dimethyl octa-2,6-diene nitrile
(Z+E)-3,7-dimethyl-2,6-octadiene-1-nitrile
3,7-dimethyl-2,6-octadienenitrile
3,7-dimethylocta-2,6-dienenitrile
 geranonitrile
(Z+E)-geranyl nitrile
 geranyl nitrile (lrt 8)
 geranylnitril
2,6-octadienenitrile, 3,7-dimethyl-
 verbenyle
 
 
Notes:
citrus odourant.
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