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 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
For Flavor
No flavor group found for these
9-
decen-2-one
FL
elecampane root absolute
FL
epoxy-2-decenal
FL
furfuryl hexanoate
FL
(E,E)-2,4-
heptadien-1-ol
FL
hexanal octane-1,3-diol acetal
FL
hexyl (E)-2-hexenoate
FL
6-
methyl octanal
FL
3-
methyl-2-cyclopenten-1-one
FL
2-
propyl pyridine
FL
(±)-3-(
methyl thio) heptanal
FL
fatty
fatty
2,4-
decadienal
FL
(E,E)-2,4-
heptadienal
FL
2,4-
nonadienal
FL
fruity
methyl (E)-3-nonenoate
FL
green
dihydroxyacetophenone (mixed isomers)
FL
(E)-2-
heptenal
FL
2,4-
hexadienal
FL
2-
hexyl pyridine
FL
(E,E)-2,4-
octadienal
FL
2,4-
octadienal
FL
 
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:

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