ethyl safranate
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Notes :
Can increase the stranght of a fragrance.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate
InChI :InChI=1/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-7H,5,8H2,1-4H3
InChIKey :KYEZYLFPHRVFBF-UHFFFAOYAT
SMILES :CCOC(=O)C1=C(C=CCC1(C)C)C
cas number :35044-59-8
(EINECS) number :252-335-9
molar refractivity :56.48 ± 0.3 cm3
parachor :470.6 ± 6.0 cm3
index of refraction :1.472 ± 0.02
surface tension :29.7 ± 3.0 dyne/cm
density :0.963 ± 0.06 g/cm3
polarizability :22.39 ± 0.5 10-24cm3
XlogP : 3.00
molecular weight : 194.2701200 (IUPAC)
formula :C12 H18 O2
NMR Predictor :Predict
 
 
IUPAC name :ethyl 6,6-dimethyl-2-methylidenecyclohex-3-ene-1-carboxylate
InChI :InChI=1/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-7,10H,2,5,8H2,1,3-4H3
InChIKey :DOVGPJULTGXWJT-UHFFFAOYAM
SMILES :CCOC(=O)C1C(=C)C=CCC1(C)C
cas number :35044-58-7
(EINECS) number :252-334-3
molar refractivity :56.85 ± 0.4 cm3
parachor :473.8 ± 6.0 cm3
index of refraction :1.477 ± 0.03
surface tension :30.9 ± 5.0 dyne/cm
density :0.96 ± 0.1 g/cm3
polarizability :22.53 ± 0.5 10-24cm3
XlogP : 3.20
molecular weight : 194.2701200 (IUPAC)
formula :C12 H18 O2
NMR Predictor :Predict
 
 
IUPAC name :ethyl 2,6,6-trimethylcyclohexa-2,4-diene-1-carboxylate
InChI :InChI=1/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-8,10H,5H2,1-4H3
InChIKey :ZANQMOGWQBCGBN-UHFFFAOYAW
SMILES :CCOC(=O)C1C(=CC=CC1(C)C)C
cas number :35044-57-6
(EINECS) number :252-333-8
molar refractivity :56.48 ± 0.3 cm3
parachor :472.3 ± 6.0 cm3
index of refraction :1.467 ± 0.02
surface tension :28.9 ± 3.0 dyne/cm
density :0.954 ± 0.06 g/cm3
polarizability :22.39 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 194.2701200 (IUPAC)
formula :C12 H18 O2
NMR Predictor :Predict
 
 
export tariff code :2918.23.9000
fda reg :unspecified
Suppliers :
Apple :ethyl safranate
Givaudan :Ethyl Safranate
Odor:  Floral, Rose, Fruity, Apple, Spicy
John D. Walsh :Ethyl Safranate
Moellhausen :ethyl safranate
90% min. nature identical kosher
Odor:  intense and diffusive, natural, fresh, damascone, rose, apple, with woody aspects; longlasting
Flavor:  strongly herbal-fruity, slightly floral; boiled apple-note
Organica Aromatics :ORIENTAL ESTER
NLT 90%(sum of isomers)
Penta :ethyl safranate
Vigon :ETHYL SAFRANATE
organoleptics :
odor type :floral
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  		fresh natural herbal damascon rose apple woody
odor sample from :Quest International
substantivity :164  Hour(s)
properties :
appearence :colorless to yellow clear liquid
assay : 94.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.96200 to 0.97200 @ 20.00 °C.
pounds per gallon - calc. : 8.014 to 8.097
refractive index :1.47400 to 1.48000 @ 20.00 °C.
flash point : 185.00  °F.  TCC  ( 85.00 °C. )
logP (o/w) : 4.24
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for ethyl safranate usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for ethyl safranate usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate
(EINECS) number :252-335-9
chemidplus :035044598
EPA Substance Registry Services :35044-59-8
 
 
 ethyl 6,6-dimethyl-2-methylidenecyclohex-3-ene-1-carboxylate
(EINECS) number :252-334-3
chemidplus :035044587
EPA Substance Registry Services :35044-58-7
 
 
 ethyl 2,6,6-trimethylcyclohexa-2,4-diene-1-carboxylate
(EINECS) number :252-333-8
chemidplus :035044576
EPA Substance Registry Services :35044-57-6
references :
 ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate
NIST Chemistry WebBook :35044598
pubchem :694916
 ethyl 6,6-dimethyl-2-methylidenecyclohex-3-ene-1-carboxylate
pubchem :694915
 ethyl 2,6,6-trimethylcyclohexa-2,4-diene-1-carboxylate
pubchem :694914
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1989)¹
CosIng :cosmetic data
synonyms :
 ethyl 2,6,6-trimethyl cyclohexa-1,3-ene carboxylate
 ethyl 2,6,6-trimethyl cyclohexa-1,3-ene-1-carboxylate
 ethyl 2,6,6-trimethyl cyclohexa-2,4-diene carboxylate
 ethyl 2,6,6-trimethyl-1,3-cyclohexdiene-1-carboxylate
 ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate
 ethyl 6,6-dimethyl-2-methylene cyclohex-3-enecarboxylate
 ethyl dehydrocyclogeranate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
isoamyl salicylate
isoamyl undecylenate
para-anisyl alcohol
 benzyl alcohol
 bergamot oil bergaptene free
beta-bisabolol
 bois de rose oil
isobutyl benzyl carbinol
 butyl benzyl ether
4-tert-butyl cyclohexane carboxaldehyde
isobutyl furyl propionate
 butyl tiglate
 carrot seed oil spain
 chamomile isobutyrate
 citronella oil
 citronellal
 citronellyl acetone
 citronellyl propionate
beta-damascenone
(E)-alpha-damascone
(Z)-alpha-damascone
alpha-damascone
beta-damascone
gamma-damascone
2-decalinyl acetate
isodecanal
(Z)-4-decen-1-yl acetate
8,9-dehydrotheaspirone
 dihydrocarvyl acetate
2',4'-dimethyl acetophenone
2,4-dimethyl cyclohexyl methyl acetate
2,4-dimethyl-3-cyclohexene-1-methanol
3,6-dimethyl-3-octanol
(E)-ethyl geranate
 ethyl linalool
 ethyl linalyl acetal
(E)-ethyl tiglate
 farnesyl acetate
 floral pyran
 floral undecenone
 freesia heptanol
 geranyl acetate
(E)-geranyl acetone
(E)-geranyl linalool
 gingergrass oil
 globulol
 guaiacyl phenyl acetate
 guaiyl acetate
 hawthorn ethanol
 heptyl formate
 heptyl isobutyrate
2-heptyl tetrahydrofuran
 herbal pyran
(Z)-3-hexen-1-yl phenyl acetate
 ho leaf oil
 ho wood oil
(E)-beta-ionone
alpha-ionone
beta-ionone
alpha-irone
 karo karounde absolute
 lavandin oil
 lavender absolute
 lavender oil france
 lavender oil greece
 linaloe wood oil mexico
 linalool
laevo-linalool
 linalool oxide
(Z)-linalool oxide (furanoid)
 linalyl propionate
 longifolene
 methyl 10-undecenal
 methyl dihydrojasmonate
(E)-beta-methyl ionone
iso-alpha-methyl ionone
(E)-alpha-methyl ionone (50-60%)
 methyl ionone gamma supreme
 methyl isobutyrate
2-methyl octanal
 musk acetate
 myrcenyl acetate
 myrtle oil
 neryl acetate
 neryl isovalerate
 nonanal diethyl acetal
 nonanol
(Z)-beta-ocimene
(Z)-5-octen-1-yl propionate
 orris absolute
 pepper hexanone
 phenethyl acetate
 phenethyl anthranilate
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde
 phenyl acetaldehyde digeranyl acetal
isophytol
 prenyl salicylate
 rose acetate
laevo-rose oxide
 sandal octanol
 strawberry glycidate 2
 styralyl formate
 styralyl propionate
 terpinyl isobutyrate
 tetrahydrolinalool
 tropical ionone
 tuberose
(E)-2-undecen-1-ol
2-undecen-1-ol
 vetiver pentanone
(odor and/or flavor) used in :
 arpege
 floral
 fruit
 herbal
 l'air du temps
 natural
 oriental
 rose
 saffron
 spice
 woody
natural occurrence in :
not found in nature



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