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

tonkavert
trivertanyl

Supplier Sponsors

Name:3,5-dimethylcyclohex-3-ene-1-carbonitrile
CAS Number: 66848-40-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:266-497-3
Nikkaji Web:J310.160F
XlogP3-AA:1.70 (est)
Molecular Weight:135.20961000
Formula:C9 H13 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 yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 221.00 to 223.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.097000 mmHg @ 25.00 °C. (est)
Flash Point: 169.00 °F. TCC ( 76.11 °C. )
logP (o/w): 2.523 (est)
Soluble in:
 alcohol
 water, 167.2 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: coumarinic
Odor Strength:medium
tonka tobacco coumarinic
Odor Description:at 100.00 %. tonka tobacco
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
3,5-Dimethylcyclohex-3-ene-1-carbonitrile
PCAS
Trivertanyl
 
Safety Information:
 
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
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for tonkavert usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Recommendation for tonkavert flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):66848-40-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :106697
National Institute of Allergy and Infectious Diseases:Data
3,5-dimethylcyclohex-3-ene-1-carbonitrile
Chemidplus:0066848406
 
References:
 3,5-dimethylcyclohex-3-ene-1-carbonitrile
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:66848-40-6
Pubchem (cid):106697
Pubchem (sid):135064169
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (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
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
7-
methyl coumarin replacer
FR
amber
amber
ambrette seed absolute
FL/FR
animal
costus valerolactone
FR
6-
methyl quinoline
FL/FR
balsamic
amyl phenyl acetate
FL/FR
6-
methyl coumarin replacer
FR
pine needle absolute
FL/FR
black
poplar bud oleoresin
FL/FR
bready
bran resinoid
FR
caramellic
fenugreek absolute
FL/FR
immortelle absolute
FL/FR
cereal
bran absolute
FR
cheesy
2-
heptanone
FL/FR
citrus
lime oil expressed florida
FL/FR
coconut
alpha-
angelica lactone
FL/FR
coconut decanone methyl
FR
coconut naphthalenone
FL/FR
delta-
decalactone
FL/FR
delta-2-
dodecenolactone
FL/FR
gamma-
heptalactone
FL/FR
delta-
heptalactone
FL/FR
hexahydrocoumarin
CS
delta-
nonalactone
FL/FR
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
delta-
octalactone
FL/FR
gamma-
octalactone
FL/FR
propyl octanoate
FL/FR
tetrahydrojasmone
FR
delta-
undecalactone
FL/FR
wine lactone
FL/FR
coumarinic
coumane
FL/FR
coumarin replacer
FR
epsilon-
decalactone
FL/FR
deertongue oil
FR
phthalide
FL/FR
tonka bean oil
FR
tonka bean oleoresin
FR
tonka bean resinoid
FR
tonka bean resinoid replacer
FR
tonka bean tincture
FR
tonka furanone
FL/FR
tonka ketone
FR
creamy
creamy lactone
FL/FR
para-
vanillyl alcohol
FL/FR
fatty
lauric acid
FL/FR
floral
para-
anisyl nitrile
FR
boronia butenal
FR
clover fragrance
FR
delta-
damascone
FL/FR
dihydrojasmone lactone
FL/FR
flouve blossom fragrance
FR
heliotropin
FL/FR
hexenyl cyclopentanone
FR
jasmin lactone (IFF)
FL/FR
lavender absolute replacer
FR
ortho-
methyl acetophenone
FL/FR
para-
methyl acetophenone
FL/FR
narcissus absolute replacer
FR
2-
pentyl cyclopentanone
FR
tobacco flower absolute
FR
fruity
alpha-
amyl cinnamyl isovalerate
FL/FR
amyl heptanoate
FL/FR
iso
amyl octanoate
FL/FR
cherry propanol
FL/FR
cyclohexanone diethyl acetal
FL/FR
(Z)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
gamma-
decalactone
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
4-
hydroxybenzyl alcohol
FL/FR
methyl (Z)-5-octenoate
FL/FR
iso
propyl octanoate
FL/FR
st. john's wort flower oil
FR
tolualdehydes (mixed o,m,p)
FL/FR
fungal
methyl 2-furoate
FL/FR
green
alpha-
decalactone
FL/FR
narcissus flower absolute
FR
syringaldehyde
FL/FR
hay
beeswax absolute
FL/FR
white
beeswax absolute
FL/FR
hay absolute
FR
tobacco leaf absolute
FL/FR
woodruff absolute
FR
herbal
immortelle flower oil
FL/FR
lavender absolute france
FL/FR
matricaria chamomilla flower oil
FL/FR
methyl nicotinate
FL/FR
saffron indenone
FL/FR
safranal
FL/FR
theaspirane
FL/FR
yerba mate absolute
FL/FR
honey
phenyl acetic acid
FL/FR
lactonic
jasminone
FL/FR
mossy
flouve oil
FR
musty
2-
acetyl pyrrole
FL/FR
ketoiso
phorone
FL/FR
nutty
2-
acetyl-5-methyl furan
FL/FR
phenolic
2'-
hydroxyacetophenone
FL/FR
popcorn
2-
acetyl pyridine
FL/FR
powdery
para-
anisyl acetate
FL/FR
soapy
ethyl undecanoate
FL/FR
spicy
benzyl eugenol
FL/FR
N,N-
diethyl octanamide
FR
methyl heptadienone
FL/FR
myrtenal
FL/FR
sweet
beeswax absolute replacer
FR
tonka bean absolute replacer
FR
tobacco
para-
cresyl isovalerate
FL/FR
deertongue absolute replacer
FR
3-
ethyl pyridine
FL/FR
honey absolute
FL/FR
methyl benzoxole
FL/FR
tobacco concrete
FR
(E,E/E,Z)-
tobacco cyclohexenone
FL/FR
veltonal (Bedoukian)
FR
tonka
6-
amyl-alpha-pyrone
FL/FR
coumarin
FR
deertongue absolute
FR
deertongue concrete
FR
deertongue oleoresin
FR
dihydrocoumarin replacer
FR
(±)-
dihydromint lactone
FL/FR
flouve absolute
FR
gamma-
hexalactone
FL/FR
melilot absolute
FR
mint lactone
FL/FR
octahydrocoumarin
FL/FR
saffron resinoid
FL/FR
tonka bean absolute
FR
tonka undecanone
FR
whiskey lactone
FL/FR
tropical
delta-
dodecalactone
FL/FR
genet absolute
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
vanilla
propenyl guaethol
FL/FR
waxy
1-
dodecanol
FL/FR
methyl laurate
FL/FR
myristyl alcohol
FL/FR
2-
tridecanone
FL/FR
undecanoic acid
FL/FR
woody
amber decatriene
FR
alpha-
cedrene epoxide
FR
iso
longifolene ketone
FR
tobacarol (IFF)
FR
tobacco nonene
FR
woody dioxolane
FR
woody ether
FR
For Flavor
No flavor group found for these
amyl phenyl acetate
FL/FR
benzyl eugenol
FL/FR
coconut naphthalenone
FL/FR
coumane
FL/FR
cyclohexanone diethyl acetal
FL/FR
alpha-
decalactone
FL/FR
delta-2-
dodecenolactone
FL/FR
jasmin lactone (IFF)
FL/FR
lauric acid
FL/FR
methyl nicotinate
FL/FR
myristyl alcohol
FL/FR
4-
octen-3-one
FL
pine needle absolute
FL/FR
black
poplar bud oleoresin
FL/FR
propyl octanoate
FL/FR
(R)-
tonka furanone
FL
tonka furanone
FL/FR
wine lactone
FL/FR
beta-
damascone
FL/FR
animal
animal
6-
methyl quinoline
FL/FR
anisic
ortho-
methyl acetophenone
FL/FR
brown
beeswax absolute
FL/FR
caramellic
3-
ethyl pyridine
FL/FR
fenugreek absolute
FL/FR
methyl 2-furoate
FL/FR
celery
jasminone
FL/FR
cheesy
2-
heptanone
FL/FR
cherry
heliotropin
FL/FR
citrus
lime oil expressed florida
FL/FR
ketoiso
phorone
FL/FR
cocoa
syringaldehyde
FL/FR
coconut
delta-
decalactone
FL/FR
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
octahydrocoumarin
FL/FR
delta-
octalactone
FL/FR
cooling
theaspirane
FL/FR
corn
2-
acetyl pyridine
FL/FR
coumarinic
phthalide
FL/FR
creamy
6-
amyl-alpha-pyrone
FL/FR
alpha-
angelica lactone
FL/FR
creamy lactone
FL/FR
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
dihydrocoumarin
FL
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
gamma-
hexalactone
FL/FR
para-
methyl acetophenone
FL/FR
mint lactone
FL/FR
delta-
nonalactone
FL/FR
delta-
undecalactone
FL/FR
para-
vanillyl alcohol
FL/FR
dairy
methyl (Z)-5-octenoate
FL/FR
fatty
2-
tridecanone
FL/FR
floral
phenyl acetic acid
FL/FR
fruity
alpha-
amyl cinnamyl isovalerate
FL/FR
amyl heptanoate
FL/FR
iso
amyl octanoate
FL/FR
para-
anisyl acetate
FL/FR
cherry propanol
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
gamma-
decalactone
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
4-
hydroxybenzyl alcohol
FL/FR
iso
propyl octanoate
FL/FR
tolualdehydes (mixed o,m,p)
FL/FR
grassy
tobacco leaf absolute
FL/FR
green
immortelle absolute
FL/FR
methyl heptadienone
FL/FR
hay
white
beeswax absolute
FL/FR
genet absolute
FL/FR
herbal
immortelle flower oil
FL/FR
lavender absolute france
FL/FR
matricaria chamomilla flower oil
FL/FR
saffron indenone
FL/FR
yerba mate absolute
FL/FR
honey
honey absolute
FL/FR
lactonic
(±)-
dihydromint lactone
FL/FR
delta-
heptalactone
FL/FR
gamma-
heptalactone
FL/FR
gamma-
octalactone
FL/FR
minty
myrtenal
FL/FR
naphthyl
2'-
hydroxyacetophenone
FL/FR
nutty
2-
acetyl pyrrole
FL/FR
2-
acetyl-5-methyl furan
FL/FR
methyl benzoxole
FL/FR
(E,E/E,Z)-
tobacco cyclohexenone
FL/FR
phenolic
para-
cresyl isovalerate
FL/FR
soapy
1-
dodecanol
FL/FR
sweet
saffron resinoid
FL/FR
vanilla
propenyl guaethol
FL/FR
waxy
epsilon-
decalactone
FL/FR
dihydrojasmone lactone
FL/FR
ethyl undecanoate
FL/FR
methyl laurate
FL/FR
undecanoic acid
FL/FR
woody
ambrette seed absolute
FL/FR
delta-
damascone
FL/FR
safranal
FL/FR
whiskey lactone
FL/FR
 
Potential Uses:
FRcoconut
FRtobacco
FRtonka bean
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1-cyano-3,5-dimethyl cyclohex-3-ene
1-cyano-3,5-dimethylcyclohex-3-ene
3-cyclohexene-1-carbonitrile, 3,5-dimethyl-
3,5-dimethyl cyclohex-3-ene-1-carbonitrile
3,5-dimethyl cyclohexene carbonitrile
3,5-dimethyl-3-cyclohexene-1-carbonitrile
3,5-dimethylcyclohex-3-ene-1-carbonitrile
 tonkavert
 trivertanyl
 

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