cinnamaldehyde ethylene glycol acetal
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IUPAC name :2-(2-phenylethenyl)-1,3-dioxolane
InChI :InChI=1/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2
InChIKey :JQLASNFFJHGQTK-UHFFFAOYAP
SMILES :C1COC(O1)C=CC2=CC=CC=C2
cas number :5660-60-6
(EINECS) number :227-110-3
fema number :2287
coe number :48
jecfa number :648
fl. number :06.014
molar refractivity :54.29 ± 0.3 cm3
parachor :393.8 ± 4.0 cm3
index of refraction :1.649 ± 0.02
surface tension :48.9 ± 3.0 dyne/cm
density :1.183 ± 0.06 g/cm3
polarizability :21.52 ± 0.5 10-24cm3
XlogP : 2.20
XlogP3-AA : 2.00
molecular weight : 176.2117800 (IUPAC)
formula :C11 H12 O2
BioActivity Analysis :478313
NMR Predictor :Predict
 
 
IUPAC name :2-[(E)-2-phenylethenyl]-1,3-dioxolane
InChI :InChI=1/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+
InChIKey :JQLASNFFJHGQTK-VOTSOKGWBE
SMILES :C1COC(O1)/C=C/C2=CC=CC=C2
cas number :5660-60-6  (E)
molar refractivity :54.29 ± 0.3 cm3
parachor :393.8 ± 4.0 cm3
index of refraction :1.649 ± 0.02
surface tension :48.9 ± 3.0 dyne/cm
density :1.183 ± 0.06 g/cm3
polarizability :21.52 ± 0.5 10-24cm3
XlogP : 2.20
XlogP3-AA : 2.00
molecular weight : 176.2117800 (IUPAC)
formula :C11 H12 O2
NMR Predictor :Predict
 
 
IUPAC name :2-[(Z)-2-phenylethenyl]-1,3-dioxolane
InChI :InChI=1/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6-
InChIKey :JQLASNFFJHGQTK-SREVYHEPBE
SMILES :O1CCOC1/C=C\c2ccccc2
cas number :5660-60-6  (Z)
molar refractivity :54.29 ± 0.3 cm3
parachor :393.8 ± 4.0 cm3
index of refraction :1.649 ± 0.02
surface tension :48.9 ± 3.0 dyne/cm
density :1.183 ± 0.06 g/cm3
polarizability :21.52 ± 0.5 10-24cm3
XlogP : 2.20
XlogP3-AA : 2.00
molecular weight : 176.2117800 (IUPAC)
formula :C11 H12 O2
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :172.515
Suppliers :
Nanjing :Cinncloval
orders in chinese.
Penta :cinnamaldehyde ethylene glycol acetal
organoleptics :
odor type :spicy
odor strength :medium
odor description:
at 10.00 % in dipropylene glycol.  		soft warm spicy cinnamon
properties :
appearence :colorless to pale yellow clear liquid
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.09500 to 1.10300 @ 25.00 °C.
pounds per gallon - calc. : 9.111 to 9.178
refractive index :1.56100 to 1.57000 @ 20.00 °C.
boiling point : 265.00 °C. @ 760.00 mm Hg
flash point : 247.00  °F.  TCC  ( 119.44 °C. )
logP (o/w) : 1.67
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :590.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.007 (μg/capita/day)
Structure Class :III
 
recommendation for cinnamaldehyde ethylene glycol acetal fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for cinnamaldehyde ethylene glycol acetal flavor usage levels up to :
  5.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
2-(2-phenylethenyl)-1,3-dioxolane
(EINECS) number :227-110-3
chemidplus :005660606
EPA Substance Registry Services :5660-60-6
dtp/nci :408703
 
2-[(E)-2-phenylethenyl]-1,3-dioxolane
 
2-[(Z)-2-phenylethenyl]-1,3-dioxolane
references :
 
2-(2-phenylethenyl)-1,3-dioxolane
fl. number :06.014
jecfa number :648
pubchem :478313
 
2-[(E)-2-phenylethenyl]-1,3-dioxolane
pubchem :164580
 
2-[(Z)-2-phenylethenyl]-1,3-dioxolane
other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 cinnamic aldehyde ethylene glycol acetal
 cinncloval
2-(2-phenylethenyl)-1,3-dioxolane
2-styryl-1,3-dioxolane
2-styryl-meta-dioxolane
soluble in :
 alcohol
insoluble in :
 water
stability :
 alkalis
potential blenders :    note
 benzylidene acetoneFL
 bois de rose oilFL/FR
isobutyl cinnamateFL/FR
 canella bark oilFR
 cassia bark oilFL/FR
 cassia concreteFR
 cassia leaf oil chinaFL/FR
 cassia oleoresinFL
 cinnamaldehydeFL/FR
 cinnamaldehyde / methyl anthranilate schiff's baseFR
 cinnamon acroleinFL/FR
 cinnamon bark oilFL/FR
 cinnamon bark oil (cinnamomum zeylanicum blume) indiaFL/FR
 cinnamon leaf oilFL/FR
 cinnamon oleoresinFL
 cinnamyl acetateFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl anthranilateFR
 cinnamyl benzoateFL/FR
 cinnamyl butyrateFL/FR
 cinnamyl cinnamateFL/FR
 cinnamyl hexanoateFL/FR
 cinnamyl isobutyrateFL/FR
 cinnamyl isovalerateFL/FR
 cinnamyl nitrileFR
 cinnamyl phenyl acetateFL/FR
 cinnamyl propionateFL/FR
 cinnamyl salicylate 
 cinnamyl tiglateFL/FR
 cinnamyl valerateFL/FR
 coranolFR
 cubeb oilFL/FR
 cyperus root oilFR
 dihydrolinaloolFL/FR
3,6-dimethyl-3-octanolFL/FR
 ethyl cinnamateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
isoeugenyl phenyl acetateFL/FR
 furfural acetoneFL
2-furfurylidene butyraldehydeFL
(E,E)-2,4-heptadien-1-alFL/FR
(Z)-3-hexen-1-yl cinnamateFR
 ho leaf oilFR
 ho wood oilFR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 linalyl cinnamateFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
ortho-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
alpha-methyl cinnamaldehydeFL/FR
para-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl eugenolFL/FR
 methyl furfuracrylateFL
 methyl heptadienoneFL/FR
 myrtenalFL/FR
 octyl cinnamateFR
 octyl phenyl acetateFL/FR
 peru balsam oilFL/FR
 phenoxyethanolFL/FR
2-phenoxyethyl formateFR
3-phenyl propyl acetateFL/FR
 pimenta leaf oilFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
 tetrahydrolinaloolFL/FR
potential uses :
 acacia
 allspice
 angelica
 arnica
 balsam
 bay
 bay rum
 bayberry
 beeswax cire d'abeille
 boldo leaf
 calamus
 caraway
 cardamom
 carnation dianthus oeillet
 carrot seed
 cascarilla
 cassia
 cassia blossom
 cassie acacia farnesiana
 cassis black currant bud
 chamomile
 cinnamon
 clary sage
 clove
 copaiba
 coriander
 cumin
 curry
 cypress
 dill
 dogwood
 elder blossom
 estragon
 galanga
 geranium
 ginger
 ginger white ginger
 gingerbread
 graham cracker
 guaiacwood
 habuba
 hinoki
 hollyberry
 hops houblon
 jonquil narcissus jonquilla
 mace
 maja
 marjoram
 mimosa wattle
 mustard
 myrrh
 nutmeg
 oriental
 osmanthus
 parsley
 pepper
 pepper black pepper
 pepper chili pepper
 pepper tabasco pepper
 pepper tree
 pimento
 pine dwarf pine
 pizza
 pumpkin
 reseda mignonette
 rootbeer
 rose dog rose
 rose moss rose
 saffron
 sarsaparilla
 sassafras
 snakeroot
 spice
 spicewood
 spikenard
 tansy tanaisie
 tarragon
 tolu balsam
 wasabi
 watercress nasturtium
 worchestshire
 wormwood absinthium
natural occurrence in :    note
 not found in nature  

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