(Z)-carvone-5,6-oxide
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(1S,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptan-2-one
InChI :InChI=1/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3/t7-,9-,10+/m0/s1
InChIKey :YGMNGQDLUQECTO-UJNFCWOMBH
SMILES :O=C1C[C@@H](C[C@@H]2O[C@]12C)C(=C)C
cas number :18383-49-8
fema number :4084
coe number :10501
jecfa number :1572
molar refractivity :45.44 ± 0.3 cm3
parachor :374.6 ± 6.0 cm3
index of refraction :1.505 ± 0.02
surface tension :35.9 ± 3.0 dyne/cm
density :1.086 ± 0.06 g/cm3
polarizability :18.01 ± 0.5 10-24cm3
xlogp : 0.80
molecular weight : 166.2169600
formula :C10 H14 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :minty
odor strength :medium
odor description :¹ :
at 100.00 %.  
sweet caraway mint spearmint spicy
substantivity :20  Hour(s)

properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.02700 to 1.03300 @ 25.00 °C.
pounds per gallon - calc. : 8.546 to 8.596
refractive index :1.48100 to 1.48700 @ 20.00 °C.
boiling point : 105.00 °C. @ 5.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 1.11

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 225.00  °F.  TCC  ( 107.22 °C. )
recommendation for (Z)-carvone-5,6-oxide usage levels up to :
  5.0000 % in the fragrance concentrate.
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
publication number : 22.
4084 average usual ppmaverage maximum ppm
baked goods : 3.0000015.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 2.0000010.00000
cheese : 2.0000010.00000
chewing gum : --
condiments / relishes : 5.0000025.00000
confectionery froastings : --
egg products : 2.0000010.00000
fats / oils : 2.0000010.00000
fish products : 3.0000015.00000
frozen dairy : 5.0000025.00000
fruit ices : 1.000005.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : 3.0000015.00000
poultry : --
processed fruits : 1.000005.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 2.0000010.00000
soups : --
sugar substitutes : --
sweet sauces : --

safety links :
 
 
chemidplus :18383-49-8
EPA Substance Registry Services :18383-49-8
NLM Chemical Carcinogenesis Research Information System :18383-49-8
NLM Developmental and Reproductive Toxicity :18383-49-8
NLM Env. Mutagen Info. Center :18383-49-8
NLM GENetic TOXicology :18383-49-8
EPI System :view
IFRA :IFRA - ( Found under : Other materials )

other :

references :
jecfa number :1572
pubchem :204631
reference : Luebke, William tgsc, (1985)¹
synonyms :
(Z)-carvone oxide
cis-carvone oxide
(Z)-carvone-5,6-oxide
(1S,4R,6S)-1,6-epoxy-para-menth-8-en-2-one
5,6-epoxy-para-menth-8-en-2-one
(1S-(1alpha,4beta,6alpha))-1-methyl-4-(1-methyl ethenyl)-7-oxabicyclo(4.1.0)heptan-2-one

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
isobutyl angelate
 caraway seed oil
(E)-carveol
(Z)-carveol
laevo-carveol
dextro-carvone
laevo-carvone
 carvyl acetate
 cuminyl alcohol
 dihydrocarveol
dextro-dihydrocarvone
 dill seed oil
 dill weed oil
3-hepten-2-one
(Z+E)-para-1(7)8-menthadien-2-yl acetate
(E)-para-menthan-2-one
 mint lactone
4-isopropyl-2-cyclohexenone
 spearmint absolute
 spearmint oil
 spearmint oil terpeneless
 tetrahydrocarvone

(odor and/or flavor) used in :
 clean
 herbal
 mint
 spice

natural occurrence in :
data pagevalerian root oil CO2 extract china @ 0.14%



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Html Last modified 11/25/2008