grapefruit acetal
 
Notes:
Fruit topnotes. Fragrance ingredient with a grapefruit-like aroma
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Fragrance Demo Formulas
6,6-dimethoxy-2,5,5-trimethylhex-2-ene (Click)
CAS Number: 67674-46-8Picture of molecule
Other: 234435-95-1
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
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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IBM Patents: Obtain
Pubchem Patents: Search
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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.
Soluble in:
 alcohol
 water, 66 mg/L @ 20 °C (exp)
Insoluble in:
 water
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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): HMDB36034
FooDB: FDB014853
Export Tariff Code: 2911.00.0000
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
aldehydic
 agrumen nitrileFR
 citrus carbaldehydeFR
 decanal (aldehyde C-10)FL/FR
2-methyl undecanal (aldehyde C-12 mna)FL/FR
 nonanal (aldehyde C-9)FL/FR
 octanal (aldehyde C-8)FL/FR
anise
 anise seed oilFL/FR
sweet fennel seed oilFL/FR
balsamic
isoamyl benzoateFL/FR
 amyris wood oilFL/FR
siam benzoin resinoidFL/FR
 benzophenoneFL/FR
 benzyl cinnamateFL/FR
 benzyl salicylateFL/FR
 cinnamyl alcoholFL/FR
 clover nitrileFR
 ethyl cinnamateFL/FR
 fir needle oil siberiaFL/FR
 methyl (E)-cinnamateFL/FR
3-phenyl propyl alcoholFL/FR
 strawberry furanoneFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 citralFL/FR
 citronellyl nitrileFR
 dihydromyrcenolFL/FR
 grapefruit pentanolFR
 lemon oil c.p. californiaFL/FR
 lemongrass oilFL/FR
 lime oil distilled mexicoFL/FR
 litsea cubeba fruit oilFL/FR
 mandarin oil (citrus reticulata var. ponkan)FL/FR
 methyl heptenoneFL/FR
blood orange oil italyFL/FR
bitter orange peel oil brazilFL/FR
sweet orange peel oil c.p. brazilFL/FR
 tangerine oil americaFL/FR
 tetrahydromyrcenolFR
fatty
 decanolFL/FR
floral
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl isobutyrateFL/FR
 bois de rose oil brazilFL/FR
 citronellyl acetateFL/FR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dimethyl anthranilateFL/FR
 ethyl phenyl acetateFL/FR
 floral pyranolFR
 geraniolFL/FR
 geranium oil bourbonFL/FR
 geranyl acetateFL/FR
(E)-geranyl acetoneFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 methyl dihydrojasmonateFL/FR
 mimosa absolute franceFL/FR
 muguet octadienolFR
 nerolFL/FR
 neroli oil bigardeFL/FR
 neryl acetateFL/FR
 nonanolFL/FR
 ocean propanalFL/FR
bitter orangeflower absolute moroccoFL/FR
 orris pyridine 25% IPMFR
 petitgrain oil paraguayFL/FR
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl propionateFL/FR
 tetrahydrolinaloolFL/FR
 violet methyl carbonateFR
 ylang ylang flower oilFL/FR
fruity
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
isoamyl acetateFL/FR
isoamyl butyrateFL/FR
 benzyl propionateFL/FR
(E)-alpha-damasconeFL/FR
gamma-decalactoneFL/FR
 diethyl malonateFL/FR
 ethyl acetoacetateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
 green acetateFR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 methyl 2-methyl valerateFL/FR
 raspberry ketone methyl etherFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
green
 cortex pyridineFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 galbanum oilFL/FR
(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
2,4-ivy carbaldehydeFL/FR
(Z)-leaf acetalFL/FR
 melon nonenoateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
 styralyl acetateFL/FR
hay
 beeswax absoluteFL/FR
herbal
 carum carvi fruit oilFL/FR
 clary sage oil franceFL/FR
 lavender absolute bulgariaFL/FR
 linalyl acetateFL/FR
alpha-terpinyl acetateFL/FR
licorice
(E)-anetholFL/FR
melon
 melon heptenalFL/FR
 watermelon ketoneFR
mossy
 veramoss (IFF)FR
naphthyl
beta-naphthyl ethyl etherFL/FR
powdery
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
spicy
 cassia bark oil chinaFL/FR
black currant bud absoluteFL/FR
 elettaria cardamomum seed oilFL/FR
sweet
 vanilla bean absolute (vanilla planifolia)FL/FR
terpenic
 juniperus communis fruit oilFL/FR
alpha-terpineolFL/FR
tonka
 tonka bean absoluteFR
vanilla
 ethyl vanillinFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
woody
 gurjun balsam oilFR
 patchouli ethanoneFR
 santallFR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dihydromyrcenolFL/FR
2,4-ivy carbaldehydeFL/FR
laevo-linaloolFL/FR
 methyl (E)-cinnamateFL/FR
 phenethyl propionateFL/FR
aldehydic
 decanolFL/FR
 nonanal (aldehyde C-9)FL/FR
 nonanolFL/FR
 octanal (aldehyde C-8)FL/FR
anise
(E)-anetholFL/FR
 anise seed oilFL/FR
sweet fennel seed oilFL/FR
balsamic
siam benzoin resinoidFL/FR
 benzyl salicylateFL/FR
 ethyl cinnamateFL/FR
 fir needle oil siberiaFL/FR
berry
 raspberry ketone methyl etherFL/FR
brown
 beeswax absoluteFL/FR
caramellic
 caramel furanoneFL
 strawberry furanoneFL/FR
citrus
 benzophenoneFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 citralFL/FR
 lemon oil c.p. californiaFL/FR
 lemongrass oilFL/FR
 lime oil distilled mexicoFL/FR
 linaloolFL/FR
 litsea cubeba fruit oilFL/FR
 mandarin oil (citrus reticulata var. ponkan)FL/FR
 nerolFL/FR
blood orange oil italyFL/FR
sweet orange peel oil c.p. brazilFL/FR
 petitgrain oil paraguayFL/FR
 tangerine oil americaFL/FR
alpha-terpineolFL/FR
 verbena oil franceFL
creamy
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
estery
 ethyl acetoacetateFL/FR
floral
 bois de rose oil brazilFL/FR
 citronellyl acetateFL/FR
 geraniolFL/FR
 geranium oil bourbonFL/FR
(E)-geranyl acetoneFL/FR
 linalyl acetateFL/FR
 methyl dihydrojasmonateFL/FR
 neroli oil bigardeFL/FR
 neryl acetateFL/FR
 ocean propanalFL/FR
bitter orangeflower absolute moroccoFL/FR
 tetrahydrolinaloolFL/FR
 ylang ylang flower oilFL/FR
fruity
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
isoamyl acetateFL/FR
isoamyl benzoateFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
(E)-alpha-damasconeFL/FR
gamma-decalactoneFL/FR
 diethyl malonateFL/FR
 dimethyl anthranilateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
 hexyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
bitter orange peel oil brazilFL/FR
 styralyl acetateFL/FR
green
isoamyl salicylateFL/FR
 cinnamyl alcoholFL/FR
 cortex pyridineFL/FR
 galbanum oilFL/FR
 geranyl acetateFL/FR
(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 isovalerateFL/FR
(Z)-leaf acetalFL/FR
 linalool oxideFL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl heptenoneFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
herbal
 carum carvi fruit oilFL/FR
 clary sage oil franceFL/FR
 coriander seed oilFL/FR
 lavender absolute bulgariaFL/FR
honey
 ethyl phenyl acetateFL/FR
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
juicy
 ethyl (E,Z)-2,4-decadienoateFL/FR
powdery
beta-naphthyl ethyl etherFL/FR
spicy
 benzyl cinnamateFL/FR
 cassia bark oil chinaFL/FR
black currant bud absoluteFL/FR
 elettaria cardamomum seed oilFL/FR
3-phenyl propyl alcoholFL/FR
sweet
 vanilla bean absolute (vanilla planifolia)FL/FR
terpenic
 juniperus communis fruit oilFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
vanilla
 ethyl vanillinFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
waxy
isoamyl butyrateFL/FR
 decanal (aldehyde C-10)FL/FR
alpha-hexyl cinnamaldehydeFL/FR
2-methyl undecanal (aldehyde C-12 mna)FL/FR
 mimosa absolute franceFL/FR
woody
 amyris wood oilFL/FR
alpha-terpinyl acetateFL/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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Occurrence (nature, food, other): 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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