grapefruit acetal
Notes:
Fruit topnotes.
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Fragrance Demo Formulas
6,6-dimethoxy-2,5,5-trimethylhex-2-ene (Click)
CAS Number: 67674-46-8
ECHA EINECS - REACH Pre-Reg: 266-885-2
Nikkaji Web: J333.298E
XlogP3-AA: 3.20 (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: colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.86500 to 0.88500 @  25.00 °C.
Pounds per Gallon - (est).: 7.198 to  7.364
Refractive Index: 1.43000 to 1.45000 @  20.00 °C.
Boiling Point: 214.00 to  215.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.214000 mm/Hg @ 25.00 °C. (est)
Vapor Density: 6.5 ( Air = 1 )
Flash Point: 181.00 °F. TCC ( 82.78 °C. )
logP (o/w): 3.180 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage: store in cool, dry place in tightly sealed containers, protected from heat and light.
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium
Odor Description:
at 100.00 %. 
fresh citrus grapefruit peel soapy woody green violet
Substantivity: 2 hour(s) at 100.00 %
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Safety Information:
Most important hazard(s):
Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral/Parenteral Toxicity:
  oral-mouse LD50  > 8000 mg/kg

Dermal Toxicity:
  Not determined
Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category: fragrance agents
Recommendation for grapefruit acetal usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Recommendation for grapefruit acetal flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 67674-46-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 106766
National Institute of Allergy and Infectious Diseases: Data
WGK Germany:2
 6,6-dimethoxy-2,5,5-trimethylhex-2-ene
Chemidplus: 0067674468
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References:
 6,6-dimethoxy-2,5,5-trimethylhex-2-ene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 67674-46-8
Pubchem (cid): 106766
Pubchem (sid): 135062881
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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
Export Tariff Code: 2911.00.0000
ChemSpider: View
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Potential Blenders and core components note
 agrumen nitrileFR
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
isoamyl acetateFL/FR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
(E)-anetholFL/FR
 anise seed oilFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
siam benzoin resinoidFL/FR
 benzophenoneFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl cinnamateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oil bergaptene reduced italyFL/FR
blood orange oil italyFL/FR
 bois de rose oil brazilFL/FR
 caramel furanoneFL
 carum carvi fruit oilFL/FR
 elettaria cardamomum seed oilFL/FR
 cassia bark oil chinaFL/FR
 cinnamyl alcoholFL/FR
 citralFL/FR
 citronellyl acetateFL/FR
 citronellyl nitrileFR
 citrus carbaldehydeFR
 clary sage oil franceFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 cortex pyridineFL/FR
black currant bud absoluteFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
(E)-alpha-damasconeFL/FR
gamma-decalactoneFL/FR
 decanal (aldehyde C-10)FL/FR
 decanolFL/FR
 diethyl malonateFL/FR
 dihydromyrcenolFL/FR
 dimethyl anthranilateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl acetoacetateFL/FR
 ethyl butyrateFL/FR
 ethyl cinnamateFL/FR
 ethyl heptanoateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl vanillinFL/FR
sweet fennel seed oilFL/FR
 fir needle oil siberiaFL/FR
 floral pyranolFR
 galbanum oilFL/FR
 geraniolFL/FR
 geranium oil bourbonFL/FR
 geranyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 grapefruit pentanolFR
 green acetateFR
 gurjun balsam oilFR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl acetateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl isovalerateFL/FR
 ho leaf oilFR
2,4-ivy carbaldehydeFL/FR
 juniperus communis fruit oilFL/FR
 lavender absolute bulgariaFL/FR
(Z)-leaf acetalFL/FR
 leerallFR
 lemon oil c.p. californiaFL/FR
 lemongrass oilFL/FR
 lime oil distilled mexicoFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 litsea cubeba fruit oilFL/FR
 mandarin oil (citrus reticulata var. ponkan)FL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl (E)-cinnamateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptenoneFL/FR
2-methyl undecanal (aldehyde C-12 mna)FL/FR
 mimosa absolute franceFL/FR
 muguet octadienolFR
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 neroli oil bigardeFL/FR
 neryl acetateFL/FR
 nonanal (aldehyde C-9)FL/FR
 nonanolFL/FR
 ocean propanalFL/FR
 octanal (aldehyde C-8)FL/FR
bitter orange peel oil brazilFL/FR
sweet orange peel oil c.p. brazilFL/FR
bitter orangeflower absolute moroccoFL/FR
 orris pyridine 25% IPMFR
 patchouli ethanoneFR
 petitgrain oil paraguayFL/FR
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl propionateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketone methyl etherFL/FR
 santallFR
 strawberry furanoneFL/FR
 styralyl acetateFL/FR
 tangerine oil americaFL/FR
alpha-terpineolFL/FR
alpha-terpinyl acetateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
 tonka bean absoluteFR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
 vanilla bean absolute (vanilla planifolia)FL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 verbena oil franceFL
 veramoss (IFF)FR
 violet methyl carbonateFR
 watermelon ketoneFR
(Z)-woody amyleneFR
 ylang ylang flower oilFL/FR
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Potential Uses:
 abroniaFR
 agrumen 
 aldehydicFR
 almondFR
 alpine bouquet 
 amaryllis 
 appleFR
 apple blossomFR
 apple crabapple 
 apricotFR
 ash mountain ash berry 
 bergamotFR
 blackberryFR
 blue grass 
 blue mist 
 bouquetFR
 bramble arctic bramble blackberry 
 cabreuvaFR
 calamusFR
 cherry blossomFR
 cherry wild cherry 
 chypreFR
 cider 
 cilantroFL/FR
 citrusFR
 cloudberry bakeapple 
 cologneFR
 coloniaFR
 crabapple blossomFR
 cranberryFR
 curacaoFL/FR
 daffodil narcissusFR
 elder berryFR
 figFR
 fir needle pine needleFL/FR
 florida breeze 
 forestFR
 freesiaFR
 gardeniaFR
 ginger ale 
 grapefruitFR
 heatherFR
 herbalFR
 hibiscusFR
 hinokiFR
 kumquatFR
 lemonFR
 linden blossom limeflower tilleulFR
 lotusFR
 mandarinFR
 melissa balmFL
 nectarine 
 neroliFR
 orange bitterFL/FR
 orange blossomFR
 orange mockFR
 papayaFR
 passion fruitFR
 pearFR
 petitgrainFL/FR
 petitgrain bergamotFL/FR
 petitgrain mandarinFL/FR
 petitgrain orange petitgrain 
 petitgrain tangerine petitgrain 
 pineFR
 pineappleFR
 pomegranateFR
 rain springFR
 rhubarbFR
 rose wild rose 
 saffronFR
 spiceFR
 starfruit 
 tamarind 
 tea 
 tropical 
 woodyFR
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Natural Occurrence in: note
 not found in nature
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Synonyms:
 amarocit (Symrise)
 amarocite (Symrise)
1,1-dimethox-2,2,5-trimethy-4-hexene
1,1-dimethoxy-2,2,5-trimethyl hex-4-ene
1,1-dimethoxy-2,2,5-trimethyl-4-hexene
1,1-dimethoxy-2,2,5-trimethylhex-4-ene
6,6-dimethoxy-2,5,5-trimethyl hex-2-ene
6,6-dimethoxy-2,5,5-trimethyl-2-hexene
6,6-dimethoxy-2,5,5-trimethylhex-2-ene
 dimethyl-4-isoheptenal dimethyl acetal
 grapefruit acetal
2-hexene, 6,6-dimethoxy-2,5,5-trimethyl-
 methyl pamplemousse (Givaudan)
 methyl pomello (methyl pamplemousse type)
 pomelocit
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Articles:
 None found yet.
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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Soluble in:
 alcohol
 water, 66 mg/L @ 20 °C (exp)
Insoluble in:
 water
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