grapefruit acetal
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Notes :
Fruit topnotes.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :6,6-dimethoxy-2,5,5-trimethylhex-2-ene
InChI :InChI=1/C11H22O2/c1-9(2)7-8-11(3,4)10(12-5)13-6/h7,10H,8H2,1-6H3
InChIKey :RDHNTAXPFZIMDN-UHFFFAOYAE
SMILES :CC(=CCC(C)(C)C(OC)OC)C
cas number :67674-46-8
(EINECS) number :266-885-2
molar refractivity :56.32 ± 0.3 cm3
parachor :484.9 ± 4.0 cm3
index of refraction :1.433 ± 0.02
surface tension :25.1 ± 3.0 dyne/cm
density :0.859 ± 0.06 g/cm3
polarizability :22.32 ± 0.5 10-24cm3
XlogP : 2.80
molecular weight : 186.2911800 (IUPAC)
formula :C11 H22 O2
NMR Predictor :Predict
 
 
export tariff code :2911.00.0000
fda reg :unspecified

Suppliers :
Berje :Methyl Pomello
(Methyl Pamplemousse™Type)
Givaudan :Methyl Pamplemousse
Odor:  Fresh, Citrus, Grapefruit peel
Moellhausen :amarocit
98% min. nature identical kosher
Odor:  fresh herbal, green fruity; citrusy, reminding of grapefruit peel
Penta :methyl pamplemousse
Symrise :Amarocit®
Odor:  fresh-fruity, reminiscent of grapefruit peel
Vigon :Amarocite
Vigon :Methyl Pamplemousse

organoleptics :
odor type :fruity
odor strength :medium
odor description :¹
at 100.00 %.  
fresh citrus grapefruit peel soapy woody green violet
odor sample from :Penta International Corporation
substantivity :2 hour(s) at 100.00 %

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86500 to 0.88500 @ 25.00 °C.
pounds per gallon - calc. : 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 :0.29000 mm/Hg @ 20.00 °C.
vapor density :6.5 ( Air = 1 )
flash point : 181.00  °F.  TCC  ( 82.78 °C. )
logP (o/w) : 3.18
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.

safety :
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 Toxicity(LD50) :
  Oral-Mouse    >8000.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for grapefruit acetal usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for grapefruit acetal usage levels up to :
 not for flavor use.

safety references :
msds :msds
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 6,6-dimethoxy-2,5,5-trimethylhex-2-ene
(EINECS) number :266-885-2
chemidplus :067674468
EPA Substance Registry Services :67674-46-8

references :
 6,6-dimethoxy-2,5,5-trimethylhex-2-ene
pubchem :683991

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (2003)¹
CosIng :cosmetic data
 C of A
synonyms :
 amarocite
1,1-dimethoxy-2,2,5-trimethyl hex-4-ene
1,1-dimethoxy-2,2,5-trimethyl-4-hexene
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
 methyl pamplemousse

soluble in :
 alcohol
 water, 66 mg/L @ 20C

insoluble in :
 water

(odor and/or flavor) blends with :
 agrumen nitrile
 allyl amyl glycolate
 allyl cyclohexyl propionate
 allyl hexanoate
isoamyl acetate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
(E)-anethol
 anise seed oil
para-anisyl acetate
para-anisyl alcohol
 beeswax absolute
 benzoin resinoid
 benzophenone
 benzyl acetate
 benzyl alcohol
 benzyl cinnamate
 benzyl isobutyrate
 benzyl propionate
 benzyl salicylate
 bergamot oil
 blood orange oil
 bois de rose oil
 caramel furanone
 caraway seed oil
 cardamom seed oil
 cassia bark oil
 cinnamyl alcohol
 citral
 citronella oils
 citronellyl acetate
 citronellyl nitrile
 citrus carbaldehyde
 clary sage oil
 clover nitrile
 coriander seed oil
 cortex pyridine
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
gamma-decalactone
 decanal
 decanol
 diethyl malonate
 dihydromyrcenol
 dimethyl anthranilate
 ethyl (E,Z)-2,4-decadienoate
 ethyl acetoacetate
 ethyl butyrate
 ethyl cinnamate
 ethyl heptanoate
 ethyl phenyl acetate
 ethyl vanillin
 fennel seed oil
 fir needle oil
 floral pyranol
 galbanum oil
 geraniol
 geranium oil
 geranyl acetate
(E)-geranyl acetone
 grapefruit pentanol
 green acetate
 gurjun balsam oil
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl tiglate
 hexyl 2-methyl butyrate
 hexyl acetate
alpha-hexyl cinnamaldehyde
 hexyl isovalerate
 ho leaf oil
 ionones
2,4-ivy carbaldehyde
 juniper berry oil
 lavender absolute
 leaf acetal
 leerall
 lemon oil
 lemongrass oil
 lime oil
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 litsea cubeba oil
 mandarin oil
 melon heptenal
 melon nonenoate
3-mercapto-4-heptanone
 methyl 2-methyl valerate
 methyl cinnamate
 methyl dihydrojasmonate
 methyl heptenone
2-methyl undecanal
 mimosa absolute
 muguet octadienol
 musks
beta-naphthyl ethyl ether
 nerol
 neroli oil
 neryl acetate
 nonanal
 nonanol
 ocean propanal
 octanal
 orange oil
 orange oil bitter
 orangeflower absolute
 orris pyridine
 patchouli ethanone
 petitgrain oil
 phenethyl acetate
 phenethyl isobutyrate
 phenethyl propionate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propyl alcohol
 raspberry ketone methyl ether
 santall
 strawberry furanone
 styralyl acetate
 tangerine oil
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrolinalool
 tetrahydromyrcenol
 tonka bean absolute
gamma-undecalactone
 vanilla absolute
 vanillin
 vanillyl acetate
 verbena oil
 verymoss
 violet methyl carbonate
 watermelon ketone
 woody amylene
 ylang ylang oil

(odor and/or flavor) used in :
 abronia
 agrumen
 aldehydic
 almond
 alpine bouquet
 amaryllis
 apple
 apple blossom
 apple crabapple
 apricot
 ash mountain ash berry
 bergamot
 blackberry
 blue grass
 blue mist
 bouquet
 bramble arctic bramble blackberry
 cabreuva
 calamus
 cherry blossom
 cherry wild cherry
 chypre
 cider
 cilantro
 citrus
 cloudberry bakeapple
 cologne
 colonia
 crabapple blossom
 cranberry
 curacao
 daffodil narcissus
 elderberry
 fig
 florida breeze
 forest
 freesia
 gardenia
 ginger ale
 grapefruit
 heather
 herbal
 hibiscus
 hinoki
 kumquat
 lemon
 linden blossom limeflower tilleul
 lotus
 mandarin
 melissa balm
 nectarine
 neroli
 orange bitter orange
 orange blossom fleur d'oranger
 orange mock orange
 papaya
 passion fruit
 pear
 petitgrain
 petitgrain bergamot petitgrain
 petitgrain mandarin petitgrain
 petitgrain orange petitgrain
 petitgrain tangerine petitgrain
 pine
 pine needle
 pineapple
 pomegranate
 rain spring rain
 rhubarb
 rose wild rose
 saffron
 spice
 starfruit
 tamarind
 tea
 tropical
 woody

natural occurrence in :
not found in nature



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