ocimene quintoxide
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :5-[(E)-but-2-en-2-yl]-2,2-dimethyloxolane
InChI :InChI=1/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3
InChIKey :LPEYLSKLVYWOEQ-UHFFFAOYAA
SMILES :C\C=C(/C)\C1CCC(O1)(C)C
(EINECS) number :231-028-3
cas number :7416-35-5
beilstein number :4797901
fema number :3665
coe number :10937
jecfa number :1452
fl. number :13.090
molar refractivity :47.71 ± 0.3 cm3
parachor :399.4 ± 6.0 cm3
index of refraction :1.446 ± 0.02
surface tension :24.9 ± 3.0 dyne/cm
density :0.863 ± 0.06 g/cm3
polarizability :18.91 ± 0.5 10-24cm3
xlogp : 2.50
molecular weight : 154.2493200
formula :C10 H18 O
 
 
export tariff code :2932.19.0000
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :2,2-Dimethyl-5-(1-methylpropen-1-yl)tetrahydrofuran

organoleptics :
odor type :citrus
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
citrus cooling woody camphor minty green spice
substantivity :4  Hour(s)

properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86500 @ 25.00 °C.
refractive index :1.44700 @ 20.00 °C.
boiling point : 60.00 °C. @ 15.00 mm Hg
logp : 3.10

safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 118.00  °F.  TCC  ( 47.78 °C. )
recommendation for ocimene quintoxide usage levels up to :
  0.5000 % in the fragrance concentrate.
recommendation for ocimene quintoxide usage levels up to :
  30.0000 ppm in the flavor.

safety links :
 
 
(EINECS) number :231-028-3
chemidplus :007416355
EPA Substance Registry Services :7416-35-5
NLM Chemical Carcinogenesis Research Information System :7416-35-5
NLM Developmental and Reproductive Toxicity :7416-35-5
NLM Env. Mutagen Info. Center :7416-35-5
NLM GENetic TOXicology :7416-35-5
EPI System :view

other :

references :
jecfa number :1452
fl. number :13.090
pubchem :204152
NIST Chemistry WebBook :3881188312
synonyms :
 citroxide
2,2-dimethyl 5-(1-methyl propen-1-yl) tetrahydrofuran
2,2-dimethyl-5-(1-methyl propen-1-yl) tetrahydrofuran
2,2-dimethyl-5-(1-methyl propenyl) tetrahydrofuran
(±)-2,2-dimethyl-5-(1-methyl-1-propenyl) tetrahydrofuran
 ocimene quintoxide
 tetrahydro-2,2-dimethyl-5-(1-methyl propenyl) furan
 tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl) furan

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl nonanoate
isoamyl acetoacetate
alpha-amyl cinnamaldehyde
isoamyl laurate
 amyl octanoate
isoamyl tiglate
2-amyl-5 or 6-keto-1,4-dioxane
 benzaldehyde dimethyl acetal
 benzylidene acetone
 bergamot oil
 blood orange oil
 bois de rose oil
isobutyl acetoacetate
isobutyl alcohol
 butyl angelate
 butyl anthranilate
 butyl hexanoate
 butyl undecylenate
isobutyraldehyde propylene glycol acetal
 cinnamaldehyde
 citral diethyl acetal
 citral dimethyl acetal
 citronella oil
 citronellal
 citronellol
 citronellyl acetate
 citronellyl butyrate
 citronellyl nitrile
 citrus carbaldehyde
 citrus ocimenol
 clary sage concrete
 clary sage oil
 clove bud oil
 cognac oil green
 cognac oil white
 coriander seed oil
 cyclamen aldehyde
gamma-decalactone
 decanal
 decanal dimethyl acetal
 decanol
(E,E,Z)-2,4,7-decatrien-1-al
2,4,7-decatrien-1-al
(E)-4-decen-1-al
 diethyl 1-malate
 diethyl laevo-tartrate
 diethyl malate
 diethyl sebacate
 dihydrocitronellyl ethyl ether
 dihydromyrcenol
 dihydromyrcenyl acetate
alpha-dihydroterpineol
 dihydroterpinyl acetate
 dimethyl anthranilate
(E+Z)-4,8-dimethyl-3,7-nonadien-2-ol
 diphenyl oxide
 dodecanal
 ethyl 3,5,5-trimethyl hexanoate
 ethyl aconitate
 ethyl chrysanthemate
 ethyl heptanoate
 ethyl nonanoate
 ethyl octanoate
2-ethyl-4-butanol
(Z)-beta-farnesene
 farnesyl acetone
 geraniol
 geranyl acetate
 geranyl acetoacetate
 grapefruit oil
 grapefruit pentanol
 green carboxylate
 green dioxolane
 green hexanal
 heliotropin
 heptanal
2-hexanol
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl oxyacetaldehyde
alpha-hexyl cinnamaldehyde
 hexyl isobutyrate
 hexyl phenyl acetate
 ionones
2,4-ivy carbaldehyde
 lavender absolute
 leerall
 lemon hexadiene
 lemon oil
 lemongrass oil
 lime octadienal
 lime octenol
 lime oil
 lime oil distilled peru
 lime oil expressed florida
 lime oil expressed terpeneless
 lime pyran
laevo-limonene
 linalool
laevo-linalool
(Z)-linalool oxide (pyranoid)
 linalyl acetate
laevo-linalyl acetate
 linalyl formate
 litsea cubeba oil
 mandarin oil
 melon heptenal propylene glycol acetal
 methyl acetoacetate
1-methyl cyclohexene
 methyl decanoate
 methyl heptenone
 methyl hydrocinnamate
 methyl nonanoate
2-methyl-1-butanol
alpha-methylene citronellal
 muguet octadienol
 nerol
 nerolidol
(E)-nerolidol
(E,E)-2,6-nonadien-1-al
 nonanal dimethyl acetal
 ocimenol
 octanal
 octanal diethyl acetal
(E)-2-octen-1-ol
 opoponax oil
 opoponax resinoid
 orange oil
 orange oil bitter
2-pentanone
 petitgrain oil
 phenethyl alcohol
 phenethyl senecioate
 phenyl acetaldehyde diethyl acetal
 propyl heptanoate
 sorbyl butyrate
 sorbyl propionate
 tangerine acetate
 tangerine oil
gamma-terpinene
alpha-terpineol
alpha-terpinyl acetate
 terpinyl cinnamate
 tetrahydrolinalool
 tetrahydromyrcenol
 trimethyl cyclohexene
gamma-undecalactone
 undecanal
 verbena oil

(odor and/or flavor) used in :
 citrus
 cordial
 herbal
 lemon
 lime
 mango
 mint
 parsley
 tropical

natural occurrence in :
grape cherimoya grape
lime
data pagelime oil distilled peru @ 0.02%
wine



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