myrascone
1-cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester
 
Notes:
None found
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Fragrance Demo Formulas
CAS Number: 94333-50-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 305-029-5
Nikkaji Web: J326.501C
XlogP3-AA: 4.00 (est)
Molecular Weight: 224.34368000
Formula: C14 H24 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
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Physical Properties:
Assay: 92.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 274.00 to  276.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.005000 mmHg @ 25.00 °C. (est)
Flash Point: 229.00 °F. TCC ( 109.70 °C. ) (est)
logP (o/w): 5.180 (est)
Soluble in:
 water, 0.8913 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium
 
 tropical  floral  fruity  
Odor Description:
at 100.00 %. 
tropical floral fruity
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
 None found
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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
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Safety in Use Information:
Category: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for myrascone flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 94333-50-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 175609
National Institute of Allergy and Infectious Diseases: Data
 ethyl 2-ethyl-3,6,6-trimethylcyclohexene-1-carboxylate
Chemidplus: 0094333503
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References:
 ethyl 2-ethyl-3,6,6-trimethylcyclohexene-1-carboxylate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 175609
Pubchem (sid): 135153483
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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
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Potential Blenders and core components note
 
For Odor
aldehydic
3-methyl-4-hexyl oxybutyraldehydeFR
balsamic
 cinnamyl formateFL/FR
citrus
(R)-citronellyl nitrileFR
 citronitrile (Symrise)FR
2-heptanolFL/FR
fatty
 butyl undecylenateFL/FR
fermented
 methyl decanoateFL/FR
floral
 acetal 318FR
isoamyl angelateFL/FR
para-anisyl butyrateFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl isobutyrateFL/FR
 blue lagoon fragranceFR
(S)-citronellyl acetateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
(E)-citronellyl tiglateFL/FR
3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl esterFR
 cymbopogon validus leaf oilFR
 dimethyl benzyl carbinyl acetateFL/FR
3,6-dimethyl-3-octyl acetateFR
 ethyl anthranilateFL/FR
 ethyl ethyl anthranilateFL/FR
 ethyl linalyl acetalFR
 eucalyptus macarthurii oilFR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 geranyl phenyl acetateFL/FR
 greenhouse fragranceFR
 hibiscus fragranceFR
 ionone mixed isomersFL/FR
 jasmin cyclopentanoneFR
isojasmoneFL/FR
 linalyl butyrateFL/FR
 magnolia flower oil CO2 extractFL/FR
 magnolia specialtyFR
 menthadienyl formateFR
ortho-methoxybenzyl ethyl etherFR
 methoxymelonalFL/FR
1-(2-methyl allyl oxy)-3-methoxy-3-methyl-1-butaneFR
para-methyl benzyl acetateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 mimosa heptanalFR
white nelumbo nucifera flower absoluteFR
pink nelumbo nucifera flower absoluteFR
white nelumbo nucifera flower concreteFR
3-nonanon-1-yl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 osmanthus absolute replacerFR
 osmanthus concreteFL/FR
 petitgrain mandarin oilFL/FR
 phenethyl butyrateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
isopropyl benzoateFL/FR
 rhodinyl butyrateFL/FR
 rose undeceneFR
 souroubea specialtyFR
 star fruit oil cubaFL/FR
 styralyl propionateFL/FR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
fruity
 allyl benzoateFR
 apricot essenceFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzyl propionateFL/FR
 benzyl valerateFL/FR
 berry hexanoateFR
 butyl 2-naphthyl etherFL/FR
isobutyl furyl propionateFL/FR
 citronellyl isobutyrateFL/FR
(E)-beta-damasconeFL/FR
beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
(R)-gamma-dodecalactoneFL/FR
 eriocephalus punctulatus flower oilFR
 ginseneFR
 linalool oxide acetatesFL/FR
3-mercaptohexyl acetateFL/FR
 methyl bicycloheptenyl methyloxirane carboxylateFR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
 peach nitrileFR
 plum crotonateFR
 plum damascone (high alpha)FR
 sambucus canadensis fruit absoluteFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
(R)-styralyl acetateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
cis-woody acetateFR
green
isoamyl 3-(2-furan) propionateFL/FR
1-[(3aS,7aR)-3a,4,7,7a-tetrahydro-1H-inden-6-yl]ethanoneFR
herbal
 chamomile isobutyrateFR
 chamomile propionateFR
 geranium cyclohexaneFR
 methyl cyclogeranate (Firmenich)FR
 tagete oil madagascarFL/FR
medicinal
ortho-cresyl acetateFL/FR
mossy
 moss specialtyFR
powdery
alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
spicy
 spicy acetoacetateFL/FR
tropical
 hotrienolFL/FR
 triflaige A (ZEON)FR
waxy
 dihydrocitronellyl acetateFL/FR
(E)-methyl geranateFL/FR
 phytyl acetateFL/FR
woody
2-decalinyl acetateFR
 melozol acetateFR
 rhubarb oxiraneFR
 
For Flavor
 
No flavor group found for these
isoamyl angelateFL/FR
 benzyl valerateFL/FR
 butyl 2-naphthyl etherFL/FR
ortho-cresyl acetateFL/FR
 dihydrocitronellyl acetateFL/FR
(R)-gamma-dodecalactoneFL/FR
 ethyl ethyl anthranilateFL/FR
 ionone mixed isomersFL/FR
 linalool oxide acetatesFL/FR
 magnolia flower oil CO2 extractFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
(E)-methyl geranateFL/FR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
 phytyl acetateFL/FR
isopropyl benzoateFL/FR
(R)-styralyl acetateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
isobutyl furyl propionateFL/FR
beta-damasconeFL/FR
anisic
para-anisyl butyrateFL/FR
citrus
 petitgrain mandarin oilFL/FR
 styralyl propionateFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
(S)-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 geranyl phenyl acetateFL/FR
 hotrienolFL/FR
 linalyl butyrateFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 rhodinyl butyrateFL/FR
 apricot essenceFL/FR
 benzyl acetateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
(Z)-beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
 ethyl anthranilateFL/FR
2-heptanolFL/FR
 methoxymelonalFL/FR
para-methyl benzyl acetateFL/FR
alpha-methyl iononeFL/FR
3-nonanon-1-yl acetateFL/FR
 osmanthus concreteFL/FR
 phenethyl butyrateFL/FR
 phenethyl isovalerateFL/FR
 sambucus canadensis fruit absoluteFL/FR
 star fruit oil cubaFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
 tagete oil madagascarFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
(E)-citronellyl tiglateFL/FR
isojasmoneFL/FR
honey
 phenethyl isobutyrateFL/FR
spicy
 cinnamyl formateFL/FR
 spicy acetoacetateFL/FR
tropical
3-mercaptohexyl acetateFL/FR
waxy
 butyl undecylenateFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
4-phenyl-3-buten-2-olFL/FR
woody
 methyl ionyl acetateFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
1-cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester
 ethyl 2-ethyl-3,6,6-trimethyl cyclohexene carboxylate
 ethyl 2-ethyl-3,6,6-trimethylcyclohexene-1-carboxylate
 ethyl 2-ethyl-3,6,6-trimethylcyclohexenecarboxylate
 ethyl ethyl trimethyl cyclohexene carboxylate
 myrascone
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