isovaleraldehyde propylene glycol acetal
Suppliers  organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :4-methyl-2-(2-methylpropyl)-1,3-dioxolane
InChI :InChI=1/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3
InChIKey :PDVLTWPJDBXATJ-UHFFFAOYAB
SMILES :CC1COC(O1)CC(C)C
cas number :18433-93-7
(EINECS) number :242-309-5
fema number :4286
jecfa number :1714
fl. number :06.135
molar refractivity :40.30 ± 0.3 cm3
parachor :369.7 ± 4.0 cm3
index of refraction :1.412 ± 0.02
surface tension :27.3 ± 3.0 dyne/cm
density :0.891 ± 0.06 g/cm3
polarizability :15.97 ± 0.5 10-24cm3
XlogP : 2.10
molecular weight : 144.2114400 (IUPAC)
formula :C8 H16 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Apple :Isovaleraldehyde PG Acetal
Inoue :ISOVALER ALDEHYDE PG ACETAL
SAFC Global® :2-Isobutyl-4-methyl-1,3-dioxolane
mixture of isomers, ≥97%
SAFC Global® :2-Isobutyl-4-methyl-1,3-dioxolane
≥97%, mixture of isomers
organoleptics :
odor type :caramellic
odor strength :medium
odor description:
at 100.00 %.  		sweet ethereal fruity tropical rummy sour ripe dairy buttery
Luebke, William tgsc, (2008)
odor sample from :Sigma-Aldrich Inc.
substantivity :3 hour(s) at 100.00 %
properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.89500 to 0.90200 @ 25.00 °C.
pounds per gallon - calc. : 7.447 to 7.506
refractive index :1.41200 to 1.42000 @ 20.00 °C.
boiling point : 150.00 to 153.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :3.53000 mm/Hg @ 25.00 °C.
flash point : 105.00  °F.  TCC  ( 40.56 °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) :1.20 (μg/capita/day)
Threshold of concern :540 (μg/person/day)
Structure Class :II
 
recommendation for isovaleraldehyde propylene glycol acetal fragrance usage levels up to :
  4.0000 % 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).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 23
 average usual ppmaverage maximum ppm
baked goods : 15.0000050.00000
beverages(nonalcoholic) : 5.0000050.00000
beverages(alcoholic) : 5.0000010.00000
breakfast cereal : 1.0000050.00000
cheese : 1.0000050.00000
chewing gum : 1.00000100.00000
condiments / relishes : 10.0000050.00000
confectionery froastings : 1.0000050.00000
egg products : 1.0000050.00000
fats / oils : 1.00000100.00000
fish products : --
frozen dairy : 5.0000020.00000
fruit ices : 0.5000020.00000
gelatins / puddings : 5.0000020.00000
granulated sugar : --
gravies : 1.0000050.00000
hard candy : 20.00000100.00000
imitation dairy : 1.00000100.00000
instant coffee / tea : 2.0000010.00000
jams / jellies : 0.1000020.00000
meat products : 1.00000100.00000
milk products : 5.0000050.00000
nut products : 1.00000100.00000
other grains : 1.0000050.00000
poultry : 1.0000050.00000
processed fruits : 0.1000020.00000
processed vegetables : 0.1000020.00000
reconstituted vegetables : --
seasonings / flavors : 1.00000100.00000
snack foods : 1.00000100.00000
soft candy : 10.00000100.00000
soups : 1.0000050.00000
sugar substitutes : --
sweet sauces : 0.8000020.00000
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
WISER :UN 1993
 
WGK Germany :3
 
 
 
 
4-methyl-2-(2-methylpropyl)-1,3-dioxolane
(EINECS) number :242-309-5
chemidplus :018433937
EPA Substance Registry Services :18433-93-7
references :
 
4-methyl-2-(2-methylpropyl)-1,3-dioxolane
fl. number :06.135
jecfa number :1714
NIST Chemistry WebBook :536403349
pubchem :663580
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(Z+E)-2-isobutyl-4-methyl-1,3-dioxolane
2-isobutyl-4-methyl-1,3-dioxolane
cis- and trans-2-isobutyl-4-methyl-1,3-dioxolane
4-methyl-2-(2-methyl propyl)-1,3-dioxolane
4-methyl-2-(2-methylpropyl)-1,3-dioxolane
isovaleraldehyde propyleneglycol acetal
isovaleric aldehyde propylene glycol acetal
isovaleric aldehyde propyleneglycol acetal
Similar Products:    note
 acetoin propylene glycol acetal
 anisaldehyde propylene glycol acetal
 benzaldehyde propylene glycol acetal
 butyraldehyde propylene glycol acetal
isobutyraldehyde propylene glycol acetal
 cinnamaldehyde propylene glycol acetal
 citral propylene glycol acetal
 cyclamen aldehyde propylene glycol acetal
 decanal propylene glycol acetal
 ethyl vanillin propylene glycol acetal
 furfural propylene glycol acetal
 heliotropyl propylene glycol acetal
 hexanal propylene glycol acetal
(E)-2-hexen-1-al propylene glycol acetal
 hydroxycitronellal propylene glycol acetal
 melon heptenal propylene glycol acetal
6-methyl-5-hepten-2-one propylene glycol acetal
 nonanal propylene glycol acetal
2-nonanone propylene glycol acetal
 octanal propylene glycol acetal
 perillaldehyde propylene glycol acetal
 phenyl acetaldehyde propylene glycol acetal
para-tolualdehyde propylene glycol acetal
 undecanal propylene glycol acetal
 valeraldehyde propylene glycol acetal
 vanillin propylene glycol acetal
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
isoamyl 3-(2-furan) propionateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 benzyl methyl etherFL/FR
isobutyl benzyl carbinolFL/FR
 chrysanthemum oxideFL/FR
 citral dimethyl acetalFL/FR
 clary sage absoluteFL/FR
 cuminyl acetaldehydeFL/FR
 decanal propylene glycol acetalFL/FR
(E)-4-decen-1-alFL/FR
 dimethyl succinateFL/FR
 earthy acetalFL/FR
 ethyl 2-benzyl butyrateFL/FR
2-ethyl octine carbonateFL
 farnesyl acetateFL/FR
 gardenia absoluteFR
 hyacinth absoluteFL/FR
 hydroxycitronellal diethyl acetalFL/FR
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
 marine hexaneFR
 methyl 2-undecynoateFL
 methyl cyclocitroneFR
4-methyl-4-phenyl pentanoneFR
 ocean propanal / methyl anthranilate schiff's baseFR
 octyl oxyacetaldehydeFR
 peach pivalateFR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
 styralyl formateFL/FR
 terpinyl isobutyrateFL/FR
potential uses :
 caramel
 floral
 green
natural occurrence in :    note
 wine port wine - up to 2 mg/kg  

information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 03/10/2010