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

citronellyl nitrile
citronalva (IFF)

Sponsors

Fragrance Demo Formulas
Name:3,7-dimethyloct-6-enenitrile
CAS Number: 51566-62-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:257-288-8
Nikkaji Web:J65.659C
MDL:MFCD00072204
XlogP3-AA:3.20 (est)
Molecular Weight:151.25249000
Formula:C10 H17 N
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:(R)-citronellyl nitrile
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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Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 92.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.83500 to 0.85500 @ 25.00 °C.
Pounds per Gallon - (est).: 6.948 to 7.114
Refractive Index:1.44000 to 1.46000 @ 20.00 °C.
Boiling Point: 110.00 to 111.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.100000 mm/Hg @ 20.00 °C.
Vapor Density:6.0 ( Air = 1 )
Flash Point:> 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 3.130
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
 paraffin oil
 water, 37.76 mg/L @ 25 °C (est)
Stability:
 alcoholic fine fragrance, good
 alkalis
 antiperspirant, good
 deo stick, good
 detergent perborate, good
 fabric softener, good
 hard surface cleaner
 liquid detergent, good
 shampoo, good
 soap, good
 toiletry application, good
 
Organoleptic Properties:
Odor Type: citrus
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:16 hour(s) at 100.00 %
fresh lemon metallic citrus waxy floral
Odor Description:at 10.00 % in dipropylene glycol. fresh lemon metallic citrus waxy floral
Luebke, William tgsc, (1987)
Odor sample from: Takasago International Corp
Odor and/or flavor descriptions from others (if found).
Takasago
Citronellyl Nitrile ≥95% as Citronellyl nitrile
Odor Description:Green note
Widely used in perfumery compositions due to its good chemical stability and tenacity.
Takasago
l-Citronellyl Nitrile ≥98.5% as Citronellyl nitrile
Odor Description:Fresh, citrusy, floral and green nuance
Widely used in perfumery compositions due to its good chemical stability and tenacity.
Taytonn
Citronalva
Odor Description:Aldehydic/ Aldehyde, Citrus, Floral
Prodasynth
CITRONELLYL NITRILE >92%
Odor Description:FRESH, LEMON, METALLIC, CITRUS
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Augustus Oils
Citronellyl Nitrile
Services
BASF
Citronellylnitrile
Odor: Citrus, green, fruity, floral
Use: It shows a very intensive odor reminiscent of citrus when diluted. It is an excellent substitute for Citronellal as an citric fragrance component for alkaline product bases.
Berjé
Citronellyl Nitrile
Happening at Berje
BOC Sciences
For experimental / research use only.
Citronellyl nitrile
CG Herbals
Citronellyl Nitrile
Odor: Citrus lemon, with the suggestion of green, aldehydic floral
Use: Good chemical stability leads to use in a wide range of applications. Normally 2 or 3% dosage is used but higher levels are possible in overtly citrus fragrances.
Creatingperfume.com
Citronellyl Nitrile
Odor: Citrus, green, fruity, floral. Citrus, green, fruity, floral
ECSA Chemicals
Citronellyl Nitrile
Company Profile
Ernesto Ventós
CITRONELLYL NITRILE
Odor: FRESH, CITRIC, FLORAL
Global Essence
Citronellyl Nitrile
Indukern F&F
CITRONELLYL NITRILE
Odor: CITRUS, GREEN, FLORAL, FRUITY
Lluch Essence
CITRONELYL NITRILE 95%
M&U International
CITRONELLYL NITRILE
Moellhausen
CITRONELLYL NITRILE
Odor: fresh, citrusy, herbal notes
OQEMA
Citronellyl Nitrile
PCW France
Citronellyl Nitrile
Steps to a fragranced product
Penta International
CITRONELLYL NITRILE
PerfumersWorld
Citronellyl Nitrile
Phoenix Aromas & Essential Oils
Citronellyl Nitrile
Privi Organics
Citronellyl Nitrile
Prodasynth
CITRONELLYL NITRILE >92%
Odor: FRESH, LEMON, METALLIC, CITRUS
Reincke & Fichtner
Citronellyl Nitrile
SRS Aromatics
CITRONELLYL NITRILE
Takasago
Citronellyl Nitrile
≥95% as Citronellyl nitrile
Odor: Green note
Use: Widely used in perfumery compositions due to its good chemical stability and tenacity.
The Fragrance Museum
Takasago
l-Citronellyl Nitrile
≥98.5% as Citronellyl nitrile
Odor: Fresh, citrusy, floral and green nuance
Use: Widely used in perfumery compositions due to its good chemical stability and tenacity.
Taytonn
Citronalva
Odor: Aldehydic/ Aldehyde, Citrus, Floral
The Good Scents Company
citronellyl nitrile
Odor: fresh lemon metallic citrus waxy floral
The John D. Walsh Company
Citronellyl Nitrile
The Lermond Company
Citronellyl Nitrile
Treatt
Citronellyl Nitrile
Vigon International
Citronellyl Nitrile
Odor: Citrus, green, fruity, floral
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 36 - Wear suitable protective clothing.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Acute toxicity, Oral (Category 4), H302
Acute toxicity, inhalation (Category 3), H331
Chronic aquatic toxicity (Category 3), H412
GHS Label elements, including precautionary statements
 
Pictogramskull.jpg
 
Signal word Danger
Hazard statement(s)
H302 - Harmful if swallowed
H331 - Toxic if inhaled
H412 - Harmful to aquatic life with long lasting effects
Precautionary statement(s)
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P271 - Use only outdoors or in a well-ventilated area.
P273 - Avoid release to the environment.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P311 - Call a POISON CENTER or doctor/physician.
P330 - Rinse mouth.
P403 + P233 - Store in a well-ventilated place. Keep container tightly closed.
P405 - Store locked up.
P501 - Dispose of contents/container in accordance with local/regional/national/international regulations.
Oral/Parenteral Toxicity:
oral-rat LD50 5300 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 525, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 525, 1979.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for citronellyl nitrile usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Recommendation for citronellyl nitrile flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):51566-62-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3033030
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3,7-dimethyloct-6-enenitrile
Chemidplus:0051566622
 
References:
Leffingwell:Chirality or Article
 3,7-dimethyloct-6-enenitrile
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:51566-62-2
Pubchem (cid):3033030
Pubchem (sid):135002433
Pherobase:View
 
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:2926.90.5050
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
acetyl nonyryl
FL/FR
adoxal (Givaudan)
FL/FR
aldehydic fragrance
FR
citrus carbaldehyde
FR
decanal (aldehyde C-10)
FL/FR
9-
decenal
FL/FR
dodecanal (aldehyde C-12 lauric)
FL/FR
fresh carbaldehyde
FR
geranyl oxyacetaldehyde
FR
mandarine undecenal
FL/FR
muguet undecadienal
FR
nonanal (aldehyde C-9)
FL/FR
octanal (aldehyde C-8)
FL/FR
2-
tridecenal
FL/FR
N-/i-
undecanal
FR
(Z)-8-
undecenal
FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
citrus
acetaldehyde citronellyl methyl acetal
FR
aldehydic nitrile
FR
aldenal C-10
FR
bergamot oil bergaptene reduced italy
FL/FR
citral diethyl acetal
FL/FR
citral propylene glycol acetal
FL/FR
citronella oil ceylon
FL/FR
(E)-4-
decenal
FL/FR
dihydromyrcenol
FL/FR
grapefruit oil c.p. california
FL/FR
grapefruit pentanol
FR
lemon oil c.p. california
FL/FR
lemongrass oil
FL/FR
lemongrass oil guatemala
FL/FR
lime oil distilled mexico
FL/FR
litsea cubeba fruit oil
FL/FR
mandarin lemon fagrance
FR
mandarin oil (citrus reticulata var. ponkan)
FL/FR
methyl heptenone
FL/FR
ocimenol
FL/FR
blood
orange oil italy
FL/FR
bitter
orange peel oil brazil
FL/FR
sweet
orange peel oil c.p. brazil
FL/FR
tangerine oil america
FL/FR
tetrahydromyrcenol
FR
trimethyl cyclohexene
FR
10-
undecen-1-ol
FL/FR
verbena oil spain
FL/FR
verbena oil terpeneless
FL/FR
dusty
3-
methyl-4-pentyl oxybutyraldehyde
FR
earthy
methyl undecylenate
FL/FR
fatty
decanol
FL/FR
floral
acetophenone
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
alpha-
amyl cinnamaldehyde dimethyl acetal
FL/FR
bois de rose oil brazil
FL/FR
citronellal
FL/FR
citronellol
FL/FR
citronellyl acetate
FL/FR
coriander seed oil
FL/FR
cyclamen aldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
9-
decen-1-ol
FL/FR
dimethyl anthranilate
FL/FR
(±)-4-
ethyl octanal
FL/FR
geraniol
FL/FR
geranyl acetate
FL/FR
geranyl propionate
FL/FR
heliotropin
FL/FR
hexyl 2-furoate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal dimethyl acetal
FL/FR
lavandulol
FR
leerall
FR
lily flower absolute
FR
laevo-
linalool
FL/FR
linalool
FL/FR
methyl citronellate
FL/FR
muguet butanal
FR
muguet octadienol
FR
nerol
FL/FR
3-
nonanon-1-yl acetate
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
petitgrain lemon oil
FL/FR
petitgrain oil paraguay
FL/FR
phenethyl alcohol
FL/FR
phenethyl hexanoate
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
rose absolute (rosa damascena) turkey
FL/FR
rose blossom pentanol
FR
tetrahydrolinalool
FL/FR
fruity
gamma-
decalactone
FL/FR
1,4-
diisopropyl-6,8-dioxabicyclo(3.2.1)octane
FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
(E)-2-
undecenal
FL/FR
green
iso
decanal
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
diphenyl oxide
FL/FR
green carbaldehyde
FR
green dioxolane
FR
heptyl formate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
melon nonenoate
FL/FR
neogall
FR
phenoxyethyl isobutyrate
FL/FR
herbal
canarium luzonicum gum
FL/FR
clary sage oil france
FL/FR
alpha-
dihydroterpineol
FL/FR
lavender absolute bulgaria
FL/FR
linalyl acetate
FL/FR
3-
octyl acetate
FL/FR
spicy
cinnamaldehyde
FL/FR
clove bud oil
FL/FR
iso
eugenol
FL/FR
myristica fragrans fruit extract
FL/FR
myristica fragrans seed tincture
FL/FR
terpenic
frankincense oil
FL/FR
laevo-
limonene
FL/FR
alpha-
phellandrene
FL/FR
gamma-
terpinene
FL/FR
alpha-
terpineol
FL/FR
waxy
decanal dimethyl acetal
FL/FR
ethyl laurate
FL/FR
geranyl undecylenate
FR
phytyl acetate
FL/FR
(E)-2-
tridecenal
FL/FR
For Flavor
No flavor group found for these
alpha-
amyl cinnamaldehyde dimethyl acetal
FL/FR
citral propylene glycol acetal
FL/FR
iso
decanal
FL/FR
decanal dimethyl acetal
FL/FR
9-
decenal
FL/FR
(±)-4-
ethyl octanal
FL/FR
mandarine undecenal
FL/FR
ocimenol
FL/FR
phytyl acetate
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
rose absolute (rosa damascena) turkey
FL/FR
10-
undecen-1-ol
FL/FR
aldehydic
aldehydic
acetyl nonyryl
FL/FR
nonanal (aldehyde C-9)
FL/FR
octanal (aldehyde C-8)
FL/FR
2-
tridecenal
FL/FR
cherry
heliotropin
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
citral diethyl acetal
FL/FR
citronella oil ceylon
FL/FR
grapefruit oil c.p. california
FL/FR
lemon oil c.p. california
FL/FR
lemongrass oil
FL/FR
lemongrass oil guatemala
FL/FR
lime oil distilled mexico
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
litsea cubeba fruit oil
FL/FR
mandarin oil (citrus reticulata var. ponkan)
FL/FR
nerol
FL/FR
blood
orange oil italy
FL/FR
sweet
orange peel oil c.p. brazil
FL/FR
petitgrain lemon oil
FL/FR
petitgrain oil paraguay
FL/FR
tangerine oil america
FL/FR
alpha-
terpineol
FL/FR
verbena oil spain
FL/FR
verbena oil terpeneless
FL/FR
creamy
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
fatty
heptyl formate
FL/FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
floral
bois de rose oil brazil
FL/FR
citronellal
FL/FR
citronellol
FL/FR
citronellyl acetate
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
geraniol
FL/FR
linalyl acetate
FL/FR
methyl citronellate
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
phenethyl alcohol
FL/FR
tetrahydrolinalool
FL/FR
fruity
gamma-
decalactone
FL/FR
dimethyl anthranilate
FL/FR
3-
nonanon-1-yl acetate
FL/FR
bitter
orange peel oil brazil
FL/FR
green
canarium luzonicum gum
FL/FR
cyclamen aldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
dihydromyrcenol
FL/FR
diphenyl oxide
FL/FR
geranyl acetate
FL/FR
hexyl 2-furoate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
melon nonenoate
FL/FR
methyl heptenone
FL/FR
3-
octyl acetate
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
clary sage oil france
FL/FR
coriander seed oil
FL/FR
lavender absolute bulgaria
FL/FR
powdery
acetophenone
FL/FR
ripe
(E)-4-
decenal
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
spicy
cinnamaldehyde
FL/FR
clove bud oil
FL/FR
iso
eugenol
FL/FR
myristica fragrans fruit extract
FL/FR
myristica fragrans seed tincture
FL/FR
terpenic
laevo-
limonene
FL/FR
alpha-
phellandrene
FL/FR
gamma-
terpinene
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
waxy
adoxal (Givaudan)
FL/FR
decanal (aldehyde C-10)
FL/FR
decanol
FL/FR
9-
decen-1-ol
FL/FR
ethyl laurate
FL/FR
geranyl propionate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal dimethyl acetal
FL/FR
methyl undecylenate
FL/FR
phenethyl hexanoate
FL/FR
(E)-2-
tridecenal
FL/FR
(E)-2-
undecenal
FL/FR
woody
alpha-
dihydroterpineol
FL/FR
frankincense oil
FL/FR
 
Potential Uses:
FRabronia
FRacacia
FRagrumen aldehyde
FRaldehydic
FRapple
FRapple green apple
FRapricot
FRbalsam
FRbasil oil replacer
FRbayberry
FRbergamot
FRblackberry
FRblueberry
FRbubble gum
FRbutterscotch
FRcedrat
FRcherry
FRcitronella
FRcitrus
FRcoconut tropical coconut
FRcologne
FRcolonia
FRcuracao
FReucalyptus oil replacer
FRfern
FRfir needle oil replacer
FRfloral
FRflower shop
FRfresh and clean
FRgardenia
FRgeranium
FRginger
FRgrapefruit
FRgreen
FRherbal
FRhoneysuckle
FRhyacinth
FRjonquil
FRlavender
FRlemon
FRlemongrass
FRlime
FRlinden flower
FL/FRlitsea cubeba
FRmace
FRmagnolia
FRmandarin
 melon watermelon muskmelon cantaloupe
 metallic
FRneroli
FRorange
FRorange blossom
FRpassion fruit
FRpeach
FRpetitgrain
FL/FRpetitgrain lemon petitgrain
FRpineapple
FRplum
FRraspberry
FRrhubarb
FRrose
FRrose red rose
FRrose tea rose
FRrose white rose
FRsassafras
FRspring rain
FRstrawberry
 tide
FRvanilla
FRverbena
 waxy
FRwoody
 zibeline
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 agrunitrile
 baranyl nitrile
 citronalva (IFF)
 citronellonitrile
 citronellylnitrile
 citrylone
3,7-dimethyl oct-6-ene nitrile
3,7-dimethyl-6-octene nitrile
3,7-dimethyl-6-octene-1-nitrile
3,7-dimethyloct-6-ene nitrile
3,7-dimethyloct-6-enenitrile
6-octenenitrile, 3,7-dimethyl-
 vervonitrile
 

Articles:

PubMed:Evaluation of genotoxicity of nitrile fragrance ingredients using in vitro and in vivo assays.
PubMed:Comparative metabolism of geranyl nitrile and citronellyl nitrile in mouse, rat, and human hepatocytes.
PubMed:An assessment of the release of inorganic cyanide from the fragrance materials benzyl cyanide, geranyl nitrile and citronellyl nitrile applied dermally to the rat.
PubMed:Urinary thiocyanate levels as a biomarker for the generation of inorganic cyanide from benzyl cyanide in the rat.
PubMed:[Value of a cinnamon and citronellyl oil mixture for the detection of allergy to perfumes].
 
Notes:
None found
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