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

hexanal butane-2,3-diol acetal
4,5-dimethyl-2-pentyl-1,3-dioxolane

Sponsors

Name:4,5-dimethyl-2-pentyl-1,3-dioxolane
CAS Number: 155639-75-1Picture of molecule3D/inchi
FDA UNII:3X15X3C17Q
XlogP3-AA:3.10 (est)
Molecular Weight:172.26780000
Formula:C10 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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:1737 hexanal butane-2,3-diol acetal
FEMA Number:4384 hexanal butane-2,3-diol acetal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: HEXANAL BUTANE-2,3-DIOL ACETAL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84500 to 0.85100 @ 25.00 °C.
Pounds per Gallon - (est).: 7.031 to 7.081
Refractive Index:1.43000 to 1.43700 @ 20.00 °C.
Boiling Point: 211.00 to 213.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.462000 mm/Hg @ 25.00 °C. (est)
Flash Point: 160.00 °F. TCC ( 71.11 °C. )
logP (o/w): 2.877 (est)
Soluble in:
 alcohol
 water, 196.3 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fatty
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
sweet fatty green
Odor Description:at 10.00 % in dipropylene glycol. sweet fatty green
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
hexanal butane-2,3-diol acetal
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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: flavoring agents
Recommendation for hexanal butane-2,3-diol acetal usage levels up to:
 not for fragrance use.
 
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): 0.400002.00000
beverages(alcoholic): 0.600003.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 0.600003.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 2.0000010.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 1.000005.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 2.00000-
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11084346
National Institute of Allergy and Infectious Diseases:Data
4,5-dimethyl-2-pentyl-1,3-dioxolane
Chemidplus:0155639751
 
References:
 4,5-dimethyl-2-pentyl-1,3-dioxolane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11084346
Pubchem (sid):135318273
 
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):HMDB32315
FooDB:FDB009563
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
dodecanal (aldehyde C-12 lauric)
FL/FR
octanal (aldehyde C-8)
FL/FR
undecanal
FL/FR
iso
valeraldehyde
FL/FR
balsamic
guaiyl acetate
FL/FR
annus
wormwood oil france
FL/FR
buttery
acetoin
FL/FR
acetyl isobutyryl
FL/FR
citrus
2-
tetradecenal
FL/FR
ethereal
iso
amyl acetoacetate
FL/FR
fatty
3-
decen-2-one
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
methyl 2-hexenoate
FL/FR
6-
methyl-5-hepten-2-one propylene glycol acetal
FL/FR
(E)-2-
nonenal
FL/FR
2-
nonenal
FL/FR
2-
octenal
FL/FR
(E)-2-
octenal
FL/FR
floral
amyl salicylate
FL/FR
citronellal
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
ethyl anthranilate
FL/FR
beta-
ionone
FL/FR
jasmin absolute (from chassis)
FL/FR
jasmin absolute (from pommade)
FL/FR
linalool
FL/FR
rhodinyl phenyl acetate
FL/FR
fruity
allyl hexanoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl octanoate
FL/FR
iso
butyl isovalerate
FL/FR
ethyl hexanoate
FL/FR
(E)-2-
hepten-1-yl acetate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
octen-1-yl cyclopentanone
FL/FR
octyl propionate
FL/FR
propyl heptanoate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
(E)-2-
undecenal
FL/FR
green
cilantro leaf oil
FL/FR
dodecanal dimethyl acetal
FL/FR
heptanal (aldehyde C-7)
FL/FR
heptanal cyclic propylene acetal
FL/FR
1-
heptanol
FL/FR
3-
heptanone
FL/FR
(Z)-4-
heptenal
FL/FR
2-
heptenal
FL/FR
2-
heptyl furan
FL/FR
hexanal (aldehyde C-6)
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexenal
FL/FR
hexyl phenyl acetate
FL/FR
nerol oxide
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(E)-2-
nonen-1-ol
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
(E)-2-
octen-1-yl acetate
FL/FR
herbal
alpha-
amyl cinnamyl formate
FL/FR
melaleuca leucadendron cajaputi oil
FL/FR
3-
octyl acetate
FL/FR
honey
phenyl pyruvic acid
FL/FR
minty
spearmint absolute
FL/FR
spicy
cumin seed absolute
FL/FR
terpenic
D-(+)-beta-
pinene
FL/FR
waxy
9-
decenoic acid
FL/FR
heptyl octanoate
FL/FR
2,4-
nonadien-1-ol
FL/FR
propyl decanoate
FL/FR
delta-
tetradecalactone
FL/FR
For Flavor
No flavor group found for these
alpha-
amyl cinnamyl formate
FL/FR
9-
decen-2-one
FL
elecampane root absolute
FL
epoxy-2-decenal
FL
furfuryl hexanoate
FL
guaiyl acetate
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
heptanal cyclic propylene acetal
FL/FR
(E)-2-
hepten-1-yl acetate
FL/FR
2-
heptenal
FL/FR
hexanal octane-1,3-diol acetal
FL
hexyl (E)-2-hexenoate
FL
melaleuca leucadendron cajaputi oil
FL/FR
methyl 2-hexenoate
FL/FR
6-
methyl octanal
FL
3-
methyl-2-cyclopenten-1-one
FL
6-
methyl-5-hepten-2-one propylene glycol acetal
FL/FR
2-
octenal
FL/FR
D-(+)-beta-
pinene
FL/FR
propyl decanoate
FL/FR
2-
propyl pyridine
FL
2-
tetradecenal
FL/FR
annus
wormwood oil france
FL/FR
(±)-3-(
methyl thio) heptanal
FL
aldehydic
aldehydic
octanal (aldehyde C-8)
FL/FR
aromatic
amyl salicylate
FL/FR
citrus
cilantro leaf oil
FL/FR
linalool
FL/FR
creamy
acetoin
FL/FR
acetyl isobutyryl
FL/FR
estery
octyl propionate
FL/FR
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
(Z)-2-
nonen-1-ol
FL/FR
2-
nonenal
FL/FR
(E)-2-
octenal
FL/FR
floral
citronellal
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
jasmin absolute (from chassis)
FL/FR
jasmin absolute (from pommade)
FL/FR
fruity
allyl hexanoate
FL/FR
iso
amyl acetoacetate
FL/FR
amyl hexanoate
FL/FR
iso
amyl octanoate
FL/FR
ethyl anthranilate
FL/FR
ethyl hexanoate
FL/FR
hexyl phenyl acetate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
octen-1-yl cyclopentanone
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
iso
valeraldehyde
FL/FR
green
iso
butyl isovalerate
FL/FR
3-
decen-2-one
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
(E,Z)-2,6-
dodecadienal
FL/FR
dodecanal dimethyl acetal
FL/FR
heptanal (aldehyde C-7)
FL/FR
(E)-2-
heptenal
FL
(Z)-4-
heptenal
FL/FR
2,4-
hexadienal
FL
hexanal (aldehyde C-6)
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexenal
FL/FR
2-
hexyl pyridine
FL
nerol oxide
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(E)-2-
nonen-1-ol
FL/FR
(E)-2-
nonenal
FL/FR
(E,E)-2,4-
octadienal
FL
2,4-
octadienal
FL
(E)-2-
octen-1-yl acetate
FL/FR
3-
octyl acetate
FL/FR
ketonic
3-
heptanone
FL/FR
minty
spearmint absolute
FL/FR
phenolic
phenyl pyruvic acid
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
solvent
1-
heptanol
FL/FR
spicy
cumin seed absolute
FL/FR
waxy
9-
decenoic acid
FL/FR
heptyl octanoate
FL/FR
propyl heptanoate
FL/FR
rhodinyl phenyl acetate
FL/FR
delta-
tetradecalactone
FL/FR
undecanal
FL/FR
(E)-2-
undecenal
FL/FR
woody
beta-
ionone
FL/FR
 
Potential Uses:
FLgreen
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 aldehyde C-6 butane-2,3-diol acetal
4,5-dimethyl-2-pentyl-1,3-dioxolane
1,3-dioxolane, 4,5-dimethyl-2-pentyl-
 

Articles:

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Notes:
Used as a food additive [EAFUS]
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