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

3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
firascone (Firmenich)

Supplier Sponsors

CAS Number: 815580-59-7Picture of molecule3D/inchi
XlogP3-AA:2.80 (est)
Molecular Weight:182.26286000
Formula:C11 H18 O2
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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US Patents:Search
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Pubchem Patents:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Soluble in:
 alcohol
 water, 35.98 mg/L @ 25 °C (est)
Stability:
 APC: traces - 1%
 candle: traces - 1%
 detergent: traces - 2%
 fine fragrances: traces - 1%
 shampoo: traces - 0.5%
 shower gel: traces - 0.5%
 soap: traces - 2%
 softener: traces - 2%
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
Substantivity:3 hour(s) at 100.00 %
rose fruity floral saffron
Odor Description:at 1.00 % in dipropylene glycol. rose fruity damascone saffron
Odor and/or flavor descriptions from others (if found).
Firmenich
FIRASCONE®
Odor Description:Rosy-fruity, Damascone, saffron note. The closest olfactive profile to
Due to its clean regulatory profile, Firascone can be used like traditional Damascones, without the dosage limitations.
 
Cosmetic Information:
None found
 
Suppliers:
Firmenich
FIRASCONE®
Odor: Rosy-fruity, Damascone, saffron note. The closest olfactive profile to
Use: Due to its clean regulatory profile, Firascone can be used like traditional Damascones, without the dosage limitations.
Vigon International
Firascone
 
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
 
Recommendation for 3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):815580-59-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12082921
National Institute of Allergy and Infectious Diseases:Data
methyl 2,6,6-trimethylcyclohex-3-ene-1-carboxylate
Chemidplus:0815580597
 
References:
 methyl 2,6,6-trimethylcyclohex-3-ene-1-carboxylate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12082921
Pubchem (sid):176268002
 
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
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
3-
methyl-4-hexyl oxybutyraldehyde
FR
aromatic
damascone carboxylate
FR
balsamic
cinnamyl formate
FL/FR
citrus
(R)-
citronellyl nitrile
FR
citronitrile (Symrise)
FR
2-
heptanol
FL/FR
fatty
butyl undecylenate
FL/FR
fermented
methyl decanoate
FL/FR
floral
acetal 318
FR
iso
amyl angelate
FL/FR
benzyl acetate
FL/FR
benzyl acetoacetate
FL/FR
benzyl isobutyrate
FL/FR
blue lagoon fragrance
FR
cassis buteneone
FR
citronellal diisotridecyl acetal
FR
citronellyl acetate
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl anthranilate
FL/FR
citronellyl butyrate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
cymbopogon validus leaf oil
FR
beta-
damascenone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
3,6-
dimethyl-3-octyl acetate
FR
ethyl anthranilate
FL/FR
ethyl ethyl anthranilate
FL/FR
eucalyptus macarthurii oil
FR
geraniol
FL/FR
geranium oil egypt fractions
FR
geranyl formate
FL/FR
geranyl isobutyrate
FL/FR
geranyl phenyl acetate
FL/FR
geranyl valerate
FL/FR
hibiscus fragrance
FR
ionone mixed isomers
FL/FR
jasmin cyclopentanone
FR
iso
jasmone
FL/FR
linalyl butyrate
FL/FR
magnolia flower oil CO2 extract
FL/FR
magnolia specialty
FR
menthadienyl formate
FR
ortho-
methoxybenzyl ethyl ether
FR
methoxymelonal
FL/FR
1-(2-
methyl allyl oxy)-3-methoxy-3-methyl-1-butane
FR
para-
methyl benzyl acetate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
pink
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower concrete
FR
3-
nonanon-1-yl acetate
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
osmanthus absolute replacer
FR
osmanthus concrete
FL/FR
petitgrain mandarin oil
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
2-
phenethyl valerate
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
iso
propyl benzoate
FL/FR
rhodinyl butyrate
FL/FR
rose butanoate
FL/FR
rose undecene
FR
souroubea specialty
FR
star fruit oil cuba
FL/FR
styralyl propionate
FL/FR
terpinyl valerate
FL/FR
tetrahydroionyl acetate
FR
fresh
10-
undecen-1-yl acetate
FL/FR
fruity
allyl benzoate
FR
allyl isononylate
FR
apricot essence
FL/FR
benzaldehyde / methyl anthranilate schiff's base
FR
benzyl propionate
FL/FR
benzyl valerate
FL/FR
berry hexanoate
FR
butyl 2-naphthyl ether
FL/FR
iso
butyl furyl propionate
FL/FR
citronellyl isobutyrate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
(R)-gamma-
dodecalactone
FL/FR
eriocephalus punctulatus flower oil
FR
(E,Z)-6-
ethyl-5,7-dimethyl-2,5-octadien-4-one
FR
geranyl butyrate
FL/FR
ginsene
FR
linalool oxide acetates
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl bicycloheptenyl methyloxirane carboxylate
FR
methyl isobutyrate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
myrascone
FR
2-
nonanone propylene glycol acetal
FL/FR
alpha-
ocimene
FL/FR
octyl formate
FL/FR
peach nitrile
FR
plum damascone (high alpha)
FR
(E,E)-
pomarose
FR
sambucus canadensis fruit absolute
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
(R)-
styralyl acetate
FL/FR
thesaron (Takasago)
FR
4-(para-
tolyl)-2-butanone
FL/FR
cis-
woody acetate
FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
hexyl phenyl acetate
FL/FR
1-[(3aS,7aR)-3a,4,7,7a-
tetrahydro-1H-inden-6-yl]ethanone
FR
herbal
chamomile isobutyrate
FR
chamomile propionate
FR
geranium cyclohexane
FR
geranyl octanoate
FL/FR
linalyl formate
FL/FR
methyl cyclogeranate (Firmenich)
FR
tagete oil madagascar
FL/FR
medicinal
ortho-
cresyl acetate
FL/FR
powdery
alpha-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
spicy
spicy acetoacetate
FL/FR
tropical
triflaige A (ZEON)
FR
waxy
dihydrocitronellyl acetate
FL/FR
(E)-
methyl geranate
FL/FR
phytyl acetate
FL/FR
winey
butyl angelate
FL/FR
woody
2-
decalinyl acetate
FR
melozol acetate
FR
rhubarb oxirane
FR
santalyl butyrate
FL/FR
For Flavor
No flavor group found for these
iso
amyl angelate
FL/FR
benzyl valerate
FL/FR
butyl 2-naphthyl ether
FL/FR
butyl angelate
FL/FR
ortho-
cresyl acetate
FL/FR
dihydrocitronellyl acetate
FL/FR
(R)-gamma-
dodecalactone
FL/FR
ethyl ethyl anthranilate
FL/FR
geranyl octanoate
FL/FR
geranyl valerate
FL/FR
ionone mixed isomers
FL/FR
linalool oxide acetates
FL/FR
linalyl formate
FL/FR
magnolia flower oil CO2 extract
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
(E)-
methyl geranate
FL/FR
2-
nonanone propylene glycol acetal
FL/FR
alpha-
ocimene
FL/FR
2-
phenethyl valerate
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
phytyl acetate
FL/FR
iso
propyl benzoate
FL/FR
santalyl butyrate
FL/FR
(R)-
styralyl acetate
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
benzyl acetoacetate
FL/FR
iso
butyl furyl propionate
FL/FR
beta-
damascone
FL/FR
citrus
citrus
petitgrain mandarin oil
FL/FR
styralyl propionate
FL/FR
ethereal
methyl isobutyrate
FL/FR
fatty
methyl decanoate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
floral
(S)-
citronellyl acetate
FL/FR
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
geranyl phenyl acetate
FL/FR
linalyl butyrate
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
rhodinyl butyrate
FL/FR
fruity
apricot essence
FL/FR
benzyl acetate
FL/FR
benzyl isobutyrate
FL/FR
benzyl propionate
FL/FR
citronellyl anthranilate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
ethyl anthranilate
FL/FR
geranyl butyrate
FL/FR
2-
heptanol
FL/FR
hexyl phenyl acetate
FL/FR
methoxymelonal
FL/FR
para-
methyl benzyl acetate
FL/FR
alpha-
methyl ionone
FL/FR
3-
nonanon-1-yl acetate
FL/FR
osmanthus concrete
FL/FR
phenethyl isovalerate
FL/FR
rose butanoate
FL/FR
sambucus canadensis fruit absolute
FL/FR
star fruit oil cuba
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
tagete oil madagascar
FL/FR
terpinyl valerate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
greasy
10-
undecen-1-yl acetate
FL/FR
green
(E)-
citronellyl tiglate
FL/FR
geranyl formate
FL/FR
iso
jasmone
FL/FR
octyl formate
FL/FR
honey
phenethyl isobutyrate
FL/FR
spicy
cinnamyl formate
FL/FR
spicy acetoacetate
FL/FR
tropical
3-
mercaptohexyl acetate
FL/FR
waxy
butyl undecylenate
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
woody
beta-
damascenone
FL/FR
methyl ionyl acetate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 firascone (Firmenich)
2,6,6-trimethyl-3-cyclohexene-1-carboxylic acid methyl ester
2,6,6-trimethyl-3-cyclohexene-1-carboxylic acid, methyl ester
 methyl 2,6,6-trimethylcyclohex-3-ene-1-carboxylate
 

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