6-methoxy-2,6-dimethyl octanal
calypsone
 
Notes:
None found
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Fragrance Demo Formulas
CAS Number: 929253-05-4Picture of molecule3D/inchi
XlogP3-AA: 2.30 (est)
Molecular Weight: 186.29474000
Formula: C11 H22 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
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Physical Properties:
Appearance: yellow liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.90870 @  25.00 °C.
Refractive Index: 1.47110 @  20.00 °C.
Boiling Point: 239.40 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.040000 mmHg @ 25.00 °C. (est)
Flash Point: 173.00 °F. TCC ( 78.40 °C. ) (est)
logP (o/w): 2.176 (est)
Soluble in:
 water, 203.2 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: herbal
 
Odor Strength: medium
 
Substantivity: 20 hour(s) at 100.00 %
 
 marine  seashore  ozone  green  fruity  citrus  
Odor Description:
at 100.00 %. 
marine sea ozone green fruity citrus
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Aston Chemical
For experimental / research use only.
Octanal, 6-methoxy-2,6-dimethyl-
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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 6-methoxy-2,6-dimethyl octanal flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 929253-05-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 24755581
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 6-methoxy-2,6-dimethyloctanal
Chemidplus: 0929253054
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References:
 6-methoxy-2,6-dimethyloctanal
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 24755581
Pubchem (sid): 163295040
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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
CHEBI: View
HMDB (The Human Metabolome Database): Search
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
For Odor
aldehydic
(Z)-4-dodecenalFL/FR
animal
 methyl (E)-2-octenoateFL/FR
balsamic
isoamyl benzoateFL/FR
 fir carboxylateFR
 hexyl cinnamateFR
citrus
(R)-citronellyl nitrileFR
 citronitrile (Symrise)FR
 citrus specialtyFR
2-dodecanoneFL/FR
2-heptanolFL/FR
(Z+E)-2-methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehydeFL/FR
1-methyl-4-methyl ethenyl cyclohexene sulfurizedFL/FR
creamy
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
ethereal
 cyclohexyl formateFL/FR
fatty
3-decen-2-oneFL/FR
 hexyl pivalateFR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
floral
alpha-amyl cinnamaldehyde diethyl acetalFR
 boronia absoluteFL/FR
 bursera graveolens wood oilFL/FR
 cassis cyclohexeneFR
 citronellyl acetateFL/FR
gamma-damasconeFR
 dihydrocarvyl acetateFL/FR
(±)-2,3-dihydrofarnesolFL/FR
6,8-dimethyl-2-nonanolFR
(E)-geranyl acetoneFL/FR
 geranyl formateFL/FR
 geranyl isobutyrateFL/FR
 geranyl tiglateFL/FR
 hexyl lactateFL/FR
 hexyl nonanoateFL/FR
 jasmin cyclopentanolFR
(Z)-jasmoneFL/FR
(2-methoxy-1-methyl propyl) benzeneFR
para-methyl benzyl acetateFL/FR
 papaya isobutyrateFL/FR
 terpinyl formateFL/FR
 tilia cordata flower oil CO2 extractFR
(E)-2,5,9-trimethyl-4,9-decadien-1-alFR
fruity
 allyl amyl glycolateFR
 allyl butyrateFL/FR
3-allyl oxy-1,4-dimethyl bicyclo(3.2.1)octaneFR
isoamyl 2-methyl butyrateFL/FR
isoamyl butyrateFL/FR
isobutyl 2-methyl butyrateFL/FR
3-butyl bicyclo[3.2.1]-6-octen-2-oneFR
isobutyl octanoateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 cinnamyl hexanoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
1,4-dibutyl-6,8-dioxabicyclo(3.2.1)octaneFR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-hexenoateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl acetoacetateFL/FR
 ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFL/FR
endo-ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFR
 ethyl citronellateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-ethyl sorbateFL/FR
 fig crotonateFR
 fruity butanateFR
 geranyl ethyl etherFL/FR
 geranyl isovalerateFL/FR
2-heptyl butyrateFL/FR
 heptyl isobutyrateFL/FR
 heptyl valerateFR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 hexyl valerateFL/FR
 methyl acetoacetateFL/FR
 methyl heptanoateFL/FR
 methyl octadienoateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
 nerolidyl isobutyrateFR
(Z)-6-nonen-1-al dimethyl acetalFR
 octen-1-yl cyclopentanoneFL/FR
 octyl butyrateFL/FR
2-pentyl furanFL/FR
3-phenyl propyl hexanoateFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenyl hexanoateFL/FR
 rhubarb undecaneFR
(E,E)-sorbyl butyrateFL/FR
 sorbyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical specialtyFR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 actinidia chinensis fruit extractFL/FR
 actinidia chinensis fruit waterFR
 allyl phenethyl etherFR
black currant bud absolute replacerFL/FR
alpha-decalactoneFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 galbanum specialtyFR
 green carboxylateFR
 green dioxolaneFR
 green note propionateFL/FR
 herbal cyclohexaneFR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl oxyacetaldehydeFR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(E)-2-hexenal propylene glycol acetalFL/FR
3-hexenyl acetateFL/FR
(Z)-3-hexenyl methyl etherFR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
dextro-limonene oxideFL/FR
 manzanate (Givaudan)FL/FR
(2-methoxy-1-methyl butyl) benzeneFR
 methyl (E)-3-hexenoateFL/FR
 neogallFR
(E)-2-pentenalFL/FR
 phenoxyacetaldehyde 50% in peomosaFR
 propylene acetalFL/FR
 sorbyl isobutyrateFL/FR
(E,E)-sorbyl isobutyrateFL/FR
1-[(3aS,7aR)-3a,4,7,7a-tetrahydro-1H-inden-6-yl]ethanoneFR
 thiogeraniolFL/FR
 violet dienyneFR
herbal
2-dodecenalFL/FR
(1S,5R)-myrtenyl acetateFL/FR
2-pentyl acetateFL/FR
 tagete oil indiaFL/FR
 tricyclodecyl acetateFR
 viridiflorolFL/FR
minty
 carvyl acetateFL/FR
spicy
 cinnamyl propionateFL/FR
2,5-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetateFR
sulfurous
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
waxy
3-decanoneFL/FR
(E)-methyl geranateFL/FR
 octyl 2-methyl butyrateFL/FR
winey
 methyl 3-acetoxyoctanoateFL/FR
woody
 verdoxanFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 bursera graveolens wood oilFL/FR
isobutyl octanoateFL/FR
 cinnamyl hexanoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
3-decanoneFL/FR
(±)-2,3-dihydrofarnesolFL/FR
(Z)-4-dodecenalFL/FR
 ethyl 2-hexenoateFL/FR
 ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFL/FR
 geranyl ethyl etherFL/FR
2-heptyl butyrateFL/FR
(E)-2-hexenal propylene glycol acetalFL/FR
3-hexenyl acetateFL/FR
 hexyl nonanoateFL/FR
 hexyl propionateFL/FR
 hexyl valerateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 3-acetoxyoctanoateFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
 methyl acetoacetateFL/FR
(E)-methyl geranateFL/FR
 methyl octadienoateFL/FR
(Z+E)-2-methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehydeFL/FR
4-phenyl-2-butyl acetateFL/FR
 prenyl hexanoateFL/FR
 propylene acetalFL/FR
(E,E)-sorbyl butyrateFL/FR
(E,E)-sorbyl isobutyrateFL/FR
 viridiflorolFL/FR
dextro-limonene oxideFL/FR
 sorbyl isobutyrateFL/FR
alliaceous
 tropical thiazoleFL/FR
berry
 heptyl isobutyrateFL/FR
citrus
1-methyl-4-methyl ethenyl cyclohexene sulfurizedFL/FR
cooling
 manzanate (Givaudan)FL/FR
dairy
2-pentyl acetateFL/FR
dusty
 ethyl citronellateFL/FR
estery
 ethyl acetoacetateFL/FR
fatty
2-dodecanoneFL/FR
2-dodecenalFL/FR
 ethyl (E)-4-decenoateFL/FR
floral
 cinnamyl propionateFL/FR
 citronellyl acetateFL/FR
 dihydrocarvyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 geranyl tiglateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
fruity
isoamyl 2-methyl butyrateFL/FR
isoamyl benzoateFL/FR
 boronia absoluteFL/FR
isobutyl 2-methyl butyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
black currant bud absolute replacerFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-ethyl sorbateFL/FR
2-heptanolFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 hexyl lactateFL/FR
 methyl (E)-2-octenoateFL/FR
para-methyl benzyl acetateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
 octen-1-yl cyclopentanoneFL/FR
3-phenyl propyl hexanoateFL/FR
 pineapple pentenoateFL/FR
 sorbyl butyrateFL/FR
 terpinyl formateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical trithianeFL/FR
green
 actinidia chinensis fruit extractFL/FR
 allyl butyrateFL/FR
 cyclohexyl formateFL/FR
3-decen-2-oneFL/FR
 geranyl formateFL/FR
 geranyl isovalerateFL/FR
 green note propionateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 methyl (E)-3-hexenoateFL/FR
 papaya isobutyrateFL/FR
(E)-2-pentenalFL/FR
2-pentyl furanFL/FR
herbal
 tagete oil indiaFL/FR
minty
 carvyl acetateFL/FR
 thiogeraniolFL/FR
waxy
isoamyl butyrateFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
woody
(Z)-jasmoneFL/FR
(1S,5R)-myrtenyl 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:
 calypsone
6-methoxy-2,6-dimethyloctanal
 octanal, 6-methoxy-2,6-dimethyl-
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