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6-methyl-5-hepten-2-one propylene glycol acetal
2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane

Supplier Sponsors

Name:2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
CAS Number: 68258-95-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:269-499-2
FDA UNII:KMW9N3MKY5
Nikkaji Web:J289.103D
XlogP3-AA:2.80 (est)
Molecular Weight:184.27880000
Formula:C11 H20 O2
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:2075 6-methyl-5-hepten-2-one propyleneglycol acetal
FEMA Number:4400 6-methyl-5-hepten-2-one propyleneglycol acetal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):68258-95-7 ; 6-METHYL-5-HEPTEN-2-ONE PROPYLENEGLYCOL ACETAL
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 88.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.90500 to 0.91100 @ 20.00 °C.
Pounds per Gallon - (est).: 7.539 to 7.589
Refractive Index:1.43900 to 1.44600 @ 20.00 °C.
Boiling Point: 222.00 to 223.00 °C. @ 760.00 mm Hg
Boiling Point: 107.00 to 108.00 °C. @ 30.00 mm Hg
Vapor Pressure:0.152000 mmHg @ 25.00 °C. (est)
Flash Point: 188.00 °F. TCC ( 86.67 °C. )
logP (o/w): 3.103 (est)
Soluble in:
 alcohol
 fats
 oils
 water, 20.83 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: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
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
isovaleraldehyde propylene glycol acetal
vanillin propylene glycol acetal
 
Organoleptic Properties:
Odor Type: fatty
Odor Strength:high ,
recommend smelling in a 10.00 % solution or less
fatty green citrus
Odor Description:at 10.00 % in dipropylene glycol. fatty green citrus
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Apple Flavor & Fragrance
6-methyl-5-hepten-2-one PG acetal
BOC Sciences
For experimental / research use only.
2,4-Dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
Inoue Perfumery
METHYL HEPTENONE PG ACETAL
Parchem
6-methyl-5-hepten-2-one propylene glycol acetal
 
Safety Information:
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 6-methyl-5-hepten-2-one propylene glycol acetal usage levels up to:
  6.0000 % in the fragrance concentrate.
 
Structure Class: III
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
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.100001.00000
beverages(alcoholic): 0.100002.00000
breakfast cereal: --
cheese: --
chewing gum: 2.0000010.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 0.100002.00000
gelatins / puddings: 0.100002.00000
granulated sugar: --
gravies: --
hard candy: 0.500003.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 0.100002.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):68258-95-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :109257
National Institute of Allergy and Infectious Diseases:Data
2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
Chemidplus:0068258957
 
References:
 2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:68258-95-7
Pubchem (cid):109257
Pubchem (sid):135065844
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB32404
FooDB:FDB009839
ChemSpider:View
FAO:6-Methyl-5-hepten-2-one propyleneglycol acetal
 
Potential Blenders and core components note
For Odor
aldehydic
dodecanal (aldehyde C-12 lauric)
FL/FR
fresh carbaldehyde
FR
iso
freshal
FR
green hexanal
FL/FR
octanal (aldehyde C-8)
FL/FR
octane nitrile
FR
undecanal
FL/FR
balsamic
guaiyl acetate
FL/FR
citrus
citral diethyl acetal
FL/FR
citral dimethyl acetal
FL/FR
(R)-
citronellyl nitrile
FR
iso
decyl acetate
FR
limonene aldehyde
FR
litsea cubeba fruit oil
FL/FR
methyl heptenone
FL/FR
1-
methyl-4-methyl ethenyl cyclohexene sulfurized
FL/FR
alpha-
methylene citronellal
FR
tangerine acetate
FR
2-
tetradecenal
FL/FR
fatty
3-
decen-2-one
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
methyl 2-hexenoate
FL/FR
2-
nonenal
FL/FR
(E)-2-
nonenal
FL/FR
2-
octenal
FL/FR
floral
citronellol
FL/FR
dihydrocitronellyl ethyl ether
FR
(E)-
nerolidol
FL/FR
fruity
iso
amyl octanoate
FL/FR
iso
butyl 2-methyl butyrate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
methyl acetoacetate
FL/FR
octen-1-yl cyclopentanone
FL/FR
(E)-2-
undecenal
FL/FR
green
cilantro leaf oil
FL/FR
citrus carbaldehyde / methyl anthranilate schiff's base
FR
green carboxylate
FR
heptanal (aldehyde C-7)
FL/FR
(Z)-4-
heptenal
FL/FR
2-
heptyl furan
FL/FR
hexanal (aldehyde C-6)
FL/FR
(Z)-3-
hexenal
FL/FR
alpha-
hexyl cinnamaldehyde dimethyl acetal
FR
dextro-
limonene oxide
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
(E)-2-
nonen-1-ol
FL/FR
2-
nonene nitrile
FR
octanal diethyl acetal
FL/FR
octanal dimethyl acetal
FL/FR
(E)-2-
octen-1-ol
FL/FR
herbal
2-
dodecenal
FL/FR
linalyl formate
FL/FR
3-
octyl acetate
FL/FR
muguet
4-iso
butyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
4-
ethyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
4-
methyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
4-
propyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
soapy
methyl anthranilate / hexyl cinnamaldehyde schiff's base
FR
spicy
cumin seed absolute
FL/FR
terpenic
alpha-
phellandrene
FL/FR
waxy
decanal dimethyl acetal
FL/FR
9-
decenoic acid
FL/FR
heptyl octanoate
FL/FR
2,4-
nonadien-1-ol
FL/FR
propyl decanoate
FL/FR
woody
humulus lupulus extract
FL/FR
For Flavor
No flavor group found for these
decanal dimethyl acetal
FL/FR
9-
decen-2-one
FL
furfuryl hexanoate
FL
guaiyl acetate
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
hexanal butane-2,3-diol acetal
FL
hexyl (E)-2-hexenoate
FL
linalyl formate
FL/FR
methyl 2-hexenoate
FL/FR
methyl acetoacetate
FL/FR
6-
methyl octanal
FL
2-
octenal
FL/FR
propyl decanoate
FL/FR
2-
propyl pyridine
FL
2-
tetradecenal
FL/FR
dextro-
limonene oxide
FL/FR
(±)-3-(
methyl thio) heptanal
FL
aldehydic
aldehydic
octanal (aldehyde C-8)
FL/FR
citrus
cilantro leaf oil
FL/FR
citral diethyl acetal
FL/FR
citral dimethyl acetal
FL/FR
litsea cubeba fruit oil
FL/FR
1-
methyl-4-methyl ethenyl cyclohexene sulfurized
FL/FR
fatty
2,4-
decadienal
FL
2-
dodecenal
FL/FR
(E,E)-2,4-
heptadienal
FL
2-
heptyl furan
FL/FR
2,4-
nonadien-1-ol
FL/FR
2,4-
nonadienal
FL
(Z)-2-
nonen-1-ol
FL/FR
2-
nonenal
FL/FR
(E)-2-
octen-1-ol
FL/FR
floral
citronellol
FL/FR
fruity
iso
amyl octanoate
FL/FR
iso
butyl 2-methyl butyrate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
octen-1-yl cyclopentanone
FL/FR
green
3-
decen-2-one
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
(E,Z)-2,6-
dodecadienal
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-4-
heptenal
FL/FR
(E)-2-
heptenal
FL
2,4-
hexadienal
FL
hexanal (aldehyde C-6)
FL/FR
(Z)-3-
hexenal
FL/FR
2-
hexyl pyridine
FL
methyl heptenone
FL/FR
(E)-
nerolidol
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,E)-2,6-
nonadienal
FL
(E)-2-
nonen-1-ol
FL/FR
(E)-2-
nonenal
FL/FR
2,4-
octadienal
FL
(E,E)-2,4-
octadienal
FL
octanal diethyl acetal
FL/FR
octanal dimethyl acetal
FL/FR
3-
octyl acetate
FL/FR
herbal
green hexanal
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
spicy
cumin seed absolute
FL/FR
terpenic
alpha-
phellandrene
FL/FR
waxy
9-
decenoic acid
FL/FR
heptyl octanoate
FL/FR
undecanal
FL/FR
(E)-2-
undecenal
FL/FR
woody
humulus lupulus extract
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2,4-dimethyl-2-(4-methyl pent-3-enyl)-1,3-dioxolane
2,4-dimethyl-2-(4-methyl-3-pentenyl)-1,3-dioxolane
2,4-dimethyl-2-(4-methylpent-3-en-1-yl)-1,3-dioxolane
2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
1,3-dioxolane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-
1,3-dioxolane, 2,4-dimethyl-2-(4-methyl-3-pentenyl)-
 methyl heptenone PG acetal
 methyl heptenone propylene glycol acetal
6-methyl-5-hepten-2-one PG acetal
6-methyl-5-hepten-2-one propyleneglycol acetal
 sulcatone propylene glycol acetal
 

Articles:

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Notes:
Used as a food additive [EAFUS]
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