saffron pyranone
trivalon
 
Notes:
None found
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4,4,6-trimethyloxan-2-one (Click)
CAS Number: 71566-51-3Picture of molecule
Nikkaji Web: J110.619H
XlogP3-AA: 1.80 (est)
Molecular Weight: 142.19798000
Formula: C8 H14 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.98100 @  25.00 °C.
Refractive Index: 1.44600 to 1.45000 @  20.00 °C.
Boiling Point: 90.00 to  92.00 °C. @ 4.00 mm Hg
Vapor Pressure: 0.154000 mm/Hg @ 25.00 °C. (est)
Flash Point: > 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 1.347 (est)
Soluble in:
 alcohol
 water, 5449 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 most media
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Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium ,
recommend smelling in a 1.00 % solution or less
 bitter  walnut  saffron  citrus  herbal  
Odor Description:
at 1.00 % in dipropylene glycol. 
bitter walnut saffron citrus herbal hot
Luebke, William tgsc, (1984)
Substantivity: 100 Hour(s)
  
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Cosmetic Information:
None found
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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:
oral-mouse LD50  800 mg/kg
Luebke, William tgsc, (1984)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
Recommendation for saffron pyranone usage levels up to:
  4.0000 % in the fragrance concentrate.
 
Recommendation for saffron pyranone flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 71566-51-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 172843
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 1
 4,4,6-trimethyloxan-2-one
Chemidplus: 0071566513
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References:
 4,4,6-trimethyloxan-2-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 71566-51-3
Pubchem (cid): 172843
Pubchem (sid): 135127970
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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
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Potential Blenders and core components note
 
For Odor
animal
isobutyl quinolineFR
1-oxaspiro-4,7-dodecaneFR
camphoreous
 butyrophenoneFL/FR
citrus
(S)-(-)-citronellalFL/FR
 dipenteneFL/FR
 lime pyranFR
 ocimene quintoxideFL/FR
 tetrahydromyrcenyl acetateFR
 verbena absolute franceFL/FR
fatty
(Z)-2-octenal 
floral
 bigarade oxideFR
 cilantro herb oil egyptFL/FR
 dihydromyrceneFR
2,4-dimethyl-3-cyclohexene-1-methanolFR
 geranyl tiglateFL/FR
 neryl formateFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
isophytolFL/FR
fruity
 ocimen-1-yl acetateFR
green
 agrumen aldehydeFR
 cilantro leaf oilFL/FR
1-heptanolFL/FR
 hexyl hexanoateFL/FR
2,4-ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
 ivy carbaldehydeFL/FR
herbal
6-acetoxydihydrotheaspiraneFL/FR
 acorus calamus rhizome oilFR
alpha-amyl cinnamyl formateFL/FR
 anethum graveolens herb oilFL/FR
 anthemis nobilis flower oil romanFL/FR
sweet basil absoluteFL/FR
(+)-alpha-campholenic aldehydeFL/FR
(R)-(+)-citronellalFL/FR
 citrus ocimenol acetateFR
 dill weed oil reunionFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 eucalyptus citriodora oilFR
 freesia heptanolFL/FR
 geranic oxideFL/FR
cis-herbal cyclohexaneFR
 herbal heptaneFR
 hop absoluteFL/FR
 hop oilFL/FR
 jambu oleoresinFL/FR
 linalyl octanoateFL/FR
 marigold oil mexicoFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
 petitgrain heptaneFR
 reseda absoluteFR
 saffron indenoneFL/FR
 saffron oilFL/FR
oswego tea specialtyFR
 theaspiraneFL/FR
 thyme absoluteFL/FR
 tricyclodecyl acetateFR
 wormwood oil americaFL/FR
 wormwood oil cubaFL/FR
 wormwood oil italyFL/FR
 wormwood oil polandFL/FR
mossy
 treemoss absoluteFR
musty
2-acetyl pyrroleFL/FR
naphthyl
ortho-methyl anisoleFL/FR
nutty
2,3-dimethyl pyrazineFL/FR
pine
 dipentene terpene hydrocarbon byproductsFR
spicy
isobutyl angelateFL/FR
 cubeb oil CO2 extract (piper cubeba)FL/FR
(-)-cubenolFL/FR
isocyclogeraniol (IFF)FR
 ginger oleoresin africaFL/FR
 ginger root oil cochinFL/FR
terpenic
gamma-terpineneFL/FR
waxy
 decanal dimethyl acetalFL/FR
woody
alpha-farneseneFL/FR
 polylimoneneFL/FR
 
For Flavor
 
No flavor group found for these
6-acetoxydihydrotheaspiraneFL/FR
alpha-amyl cinnamyl formateFL/FR
 butyrophenoneFL/FR
(+)-alpha-campholenic aldehydeFL/FR
(R)-(+)-citronellalFL/FR
(S)-(-)-citronellalFL/FR
 decanal dimethyl acetalFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 dipenteneFL/FR
3,6-ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
 ivy carbaldehydeFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
(Z)-2-octenal 
 polylimoneneFL/FR
 saffron indenoneFL/FR
 geranic oxideFL/FR
ortho-methyl anisoleFL/FR
citrus
 cilantro leaf oilFL/FR
 freesia heptanolFL/FR
 verbena absolute franceFL/FR
cooling
 jambu oleoresinFL/FR
 theaspiraneFL/FR
floral
 geranyl tiglateFL/FR
fruity
 hexyl hexanoateFL/FR
 linalyl octanoateFL/FR
 neryl formateFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
green
isobutyl angelateFL/FR
alpha-farneseneFL/FR
2,4-ivy carbaldehydeFL/FR
 ocimene quintoxideFL/FR
herbal
 anethum graveolens herb oilFL/FR
 anthemis nobilis flower oil romanFL/FR
sweet basil absoluteFL/FR
 cilantro herb oil egyptFL/FR
 dill weed oil reunionFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 marigold oil mexicoFL/FR
 saffron oilFL/FR
 thyme absoluteFL/FR
 wormwood oil americaFL/FR
 wormwood oil cubaFL/FR
 wormwood oil italyFL/FR
 wormwood oil polandFL/FR
musty
2,3-dimethyl pyrazineFL/FR
nutty
2-acetyl pyrroleFL/FR
oily
isophytolFL/FR
solvent
1-heptanolFL/FR
spicy
 cubeb oil CO2 extract (piper cubeba)FL/FR
(-)-cubenolFL/FR
 ginger oleoresin africaFL/FR
 ginger root oil cochinFL/FR
terpenic
gamma-terpineneFL/FR
 
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Potential Uses:
 chypreFR
 citrusFR
 fern fougereFR
 herbalFR
 lavenderFR
 nut walnut 
 saffronFR
 woodyFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2H-pyran-2-one, tetrahydro-4,4,6(or 4,6,6)-trimethyl-
 tetrahydro-4,4,6(or 4,6,6)-trimethyl-2H-pyran-2-one
4,6,6(4,4,6)-trimethyl tetrahydropyran-2-one
4,4,6-trimethyloxan-2-one
4,4,6-trimethyltetrahydro-2H-pyran-2-one
4,6,6(4,4,6)-trimethyltetrahydropyran-2-one
 trivalon
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Articles:
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