EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

heptanal cyclic propylene acetal
heptanal propyleneglycol acetal

Supplier Sponsors

Name:2-hexyl-4-methyl-1,3-dioxolane
CAS Number: 4351-10-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:224-413-2
Nikkaji Web:J42.131F
Beilstein Number:0105323
MDL:MFCD01730120
XlogP3-AA:3.20 (est)
Molecular Weight:172.26780000
Formula:C10 H20 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:1739 heptanal propyleneglycol acetal
FEMA Number:4368 heptanal propyleneglycol acetal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: HEPTANAL PROPYLENEGLYCOL ACETAL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.88900 to 0.89500 @ 25.00 °C.
Pounds per Gallon - (est).: 7.397 to 7.447
Refractive Index:1.42500 to 1.43000 @ 20.00 °C.
Boiling Point: 217.00 to 218.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.350000 mm/Hg @ 25.00 °C. (est)
Flash Point: 165.00 °F. TCC ( 73.89 °C. )
logP (o/w): 3.166 (est)
Soluble in:
 alcohol
 water, 169.9 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
green fatty
Odor Description:at 10.00 % in dipropylene glycol. green fatty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Hexyl-4-methyl-1,3-dioxolane
Inoue Perfumery
HEPTANAL PG ACETAL
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Hexyl-4-methyl-1,3-dioxolane
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LDLo 500 mg/kg
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 8, Pg. 742, 1956.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for heptanal cyclic propylene acetal usage levels up to:
  2.0000 % 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 Flavor Ingredient Library
publication number: 23
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 3.0000015.00000
beverages(alcoholic): 4.0000020.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 6.0000030.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 5.0000025.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 6.0000030.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 5.00000-
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):4351-10-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :20357
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-hexyl-4-methyl-1,3-dioxolane
Chemidplus:0004351104
 
References:
 2-hexyl-4-methyl-1,3-dioxolane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4351-10-4
Pubchem (cid):20357
Pubchem (sid):134985541
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB32302
FooDB:FDB009546
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
dodecanal (aldehyde C-12 lauric)
FL/FR
fresh carbaldehyde
FR
undecanal
FL/FR
balsamic
guaiyl acetate
FL/FR
fatty
3-
decen-2-one
FL/FR
methyl 2-hexenoate
FL/FR
(E)-2-
nonenal
FL/FR
(E)-2-
octenal
FL/FR
2-
octenal
FL/FR
fruity
ethyl hexanoate
FL/FR
methyl 2-methyl butyrate
FL/FR
octen-1-yl cyclopentanone
FL/FR
green
dodecanal dimethyl acetal
FL/FR
3-
heptanone
FL/FR
2-
heptenal
FL/FR
(Z)-4-
heptenal
FL/FR
2-
heptyl furan
FL/FR
hexanal (aldehyde C-6)
FL/FR
alpha-
hexyl cinnamaldehyde dimethyl acetal
FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(E)-2-
octen-1-yl acetate
FL/FR
waxy
2,4-
nonadien-1-ol
FL/FR
For Flavor
No flavor group found for these
epoxy-2-decenal
FL
furfuryl hexanoate
FL
guaiyl acetate
FL/FR
2-
heptenal
FL/FR
hexanal butane-2,3-diol acetal
FL
hexanal octane-1,3-diol acetal
FL
hexyl (E)-2-hexenoate
FL
methyl 2-hexenoate
FL/FR
2-
octenal
FL/FR
fatty
fatty
2,4-
decadienal
FL
(E,E)-2,4-
heptadienal
FL
2-
heptyl furan
FL/FR
2,4-
nonadien-1-ol
FL/FR
2,4-
nonadienal
FL
(E)-2-
octenal
FL/FR
fruity
ethyl hexanoate
FL/FR
methyl 2-methyl butyrate
FL/FR
octen-1-yl cyclopentanone
FL/FR
green
3-
decen-2-one
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
dodecanal dimethyl acetal
FL/FR
(Z)-4-
heptenal
FL/FR
hexanal (aldehyde C-6)
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(E)-2-
nonenal
FL/FR
(E,E)-2,4-
octadienal
FL
(E)-2-
octen-1-yl acetate
FL/FR
ketonic
3-
heptanone
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
waxy
undecanal
FL/FR
 
Potential Uses:
FRgreen
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 aldehyde C-7 cyclic propylene acetal
1,3-dioxolane, 2-hexyl-4-methyl-
 heptanal PG acetal
 heptanal propylene glycol acetal
 heptanal propyleneglycol acetal
 heptanal, cyclic propylene acetal
2-hexyl-4-methyl-1,3-dioxolan
2-hexyl-4-methyl-1,3-dioxolane
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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