valeraldehyde propylene glycol acetal
1,3-dioxolane, 2-butyl-4-methyl-
 
Notes:
Used as a food additive [EAFUS]
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      Product(s):
      74094-60-3 2-Butyl-4-methyl-1,3-dioxolane
       
  • CSA
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CAS Number: 74094-60-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 277-710-4
FDA UNII: N5U0ZL00CI
Nikkaji Web: J285.543G
XlogP3-AA: 2.10 (est)
Molecular Weight: 144.21392000
Formula: C8 H16 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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1734  valeraldehyde propyleneglycol acetal
FEMA Number: 4372 valeraldehyde propyleneglycol acetal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):74094-60-3 ; VALERALDEHYDE PROPYLENEGLYCOL ACETAL
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.90000 to 0.90600 @  25.00 °C.
Pounds per Gallon - (est).: 7.489 to  7.539
Refractive Index: 1.41500 to 1.42000 @  20.00 °C.
Boiling Point: 176.00 to  177.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 2.325000 mmHg @ 25.00 °C. (est)
Flash Point: 127.00 °F. TCC ( 52.78 °C. )
logP (o/w): 2.147 (est)
Soluble in:
 alcohol
 water, 1571 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
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furfural propylene glycol acetal
heliotropyl propylene glycol acetal
hexanal propylene glycol acetal
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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
isovaleraldehyde propylene glycol acetal
vanillin propylene glycol acetal
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Organoleptic Properties:
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
Odor Description:
at 10.00 % in dipropylene glycol. 
nutty fatty
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
1,3-Dioxolane,2-butyl-4-methyl-
BOC Sciences
For experimental / research use only.
2-Butyl-4-methyl-1,3-dioxolane
Inoue Perfumery
VALERALDEHYDE PG ACETAL
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
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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 valeraldehyde propylene glycol 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
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: 1.0000050.00000
beverages(nonalcoholic): 1.0000020.00000
beverages(alcoholic): --
breakfast cereal: 1.0000050.00000
cheese: 1.0000050.00000
chewing gum: 1.00000100.00000
condiments / relishes: 1.0000050.00000
confectionery froastings: 1.0000050.00000
egg products: 1.0000050.00000
fats / oils: 1.00000100.00000
fish products: --
frozen dairy: 0.1000020.00000
fruit ices: 0.1000020.00000
gelatins / puddings: 0.1000020.00000
granulated sugar: --
gravies: 1.0000050.00000
hard candy: 1.00000100.00000
imitation dairy: 1.00000100.00000
instant coffee / tea: --
jams / jellies: 0.1000020.00000
meat products: 1.00000100.00000
milk products: 1.0000050.00000
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: 1.00000100.00000
soups: 1.0000050.00000
sugar substitutes: --
sweet sauces: 0.1000020.00000
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 156273
National Institute of Allergy and Infectious Diseases: Data
 2-butyl-4-methyl-1,3-dioxolane
Chemidplus: 0074094603
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References:
 2-butyl-4-methyl-1,3-dioxolane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 156273
Pubchem (sid): 135111829
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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): HMDB32551
FooDB: FDB010441
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 sulfuryl octanoateFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl propionateFL/FR
 valeraldehyde dibutyl acetalFL/FR
balsamic
 propyl benzoateFL/FR
buttery
 acetyl propionylFL/FR
3,4-hexane dioneFL/FR
camphoreous
 bornyl isobutyrateFL/FR
caramellic
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
chocolate
 chocolate pyrazine AFL/FR
2-methoxypyrazineFL/FR
cocoa
2-methyl butyraldehydeFL/FR
coconut
alpha-angelica lactoneFL/FR
gamma-heptalactoneFL/FR
coumarinic
 coumaneFL/FR
 tonka bean resinoidFR
earthy
2-ethyl-3-methoxypyrazineFL/FR
fatty
 coconut absoluteFL/FR
fermented
 valeraldehydeFL/FR
floral
 boronia butenalFR
para-cresyl laurateFL/FR
fruity
 allyl 2-ethyl butyrateFL/FR
isoamyl nonanoateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
green
2-heptyl furanFL/FR
herbal
 saffron pyranoneFR
musty
2-acetyl pyrroleFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
 hazelnut pyrazineFL/FR
 menthofuranFL/FR
naphthyl
para-methyl anisoleFL/FR
ortho-methyl anisoleFL/FR
nutty
3-acetyl pyridineFL/FR
2-acetyl-3-ethyl pyrazineFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
3,6-cocoa pyrazineFL/FR
2,3-dimethyl pyrazineFL/FR
2-ethyl pyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
 filbert heptenoneFL/FR
 filbert pyrazineFL/FR
2,6-lutidineFL/FR
 maraniolCS
2-methyl pyrazineFL/FR
5-methyl quinoxalineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL/FR
2-methyl-3-propyl pyrazineFL/FR
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 shoyu pyrazineFL/FR
2,3,5,6-tetramethyl pyrazineFL/FR
2,3,5-trimethyl pyrazineFL/FR
 vinyl sulfurolFL/FR
popcorn
2-acetyl pyrazineFL/FR
2-acetyl thiazoleFL/FR
roasted
2-acetyl-2-pyrroline 
spicy
3-(2-furyl) acroleinFL/FR
 furfuryl thioacetateFL/FR
tobacco
 veltonal (Bedoukian)FR
tonka
 tonka bean absoluteFR
 whiskey lactoneFL/FR
 
For Flavor
 
No flavor group found for these
 acetyl acetaldehyde dimethyl acetalFL
2-acetyl-2-pyrroline 
 bornyl isobutyrateFL/FR
 butyramideFL
 chocolate pyrazine AFL/FR
 coumaneFL/FR
 cyclohexyl methyl pyrazineFL
2,5-diethyl thiazoleFL
2,5-diethyl-4-methyl thiazoleFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
2,5-dimethyl thiazoleFL
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
2-ethyl-3-methoxypyrazineFL/FR
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
3-(2-furyl) acroleinFL/FR
(E,E)-2,4-heptadien-1-olFL
2-hexyl-5 or 6-keto-1,4-dioxaneFL
2-methoxypyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL/FR
 peanut dithiazineFL
2-propyl pyridineFL
para-salicylic acidFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
5-acetyl-2,3-dihydro-1,4-thiazineFL
 sulfuryl formateFL
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
 valeraldehyde dibutyl acetalFL/FR
alliaceous
2-methyl thioacetaldehydeFL
bready
2-propionyl thiazoleFL
burnt
2-methyl quinoxalineFL
buttery
3,4-hexane dioneFL/FR
camphoreous
ortho-methyl anisoleFL/FR
coffee
 difurfuryl etherFL
2-ethyl-4-methyl thiazoleFL/FR
2-isopropyl pyrazineFL
corn chip
2-acetyl thiazoleFL/FR
2-acetyl-2-thiazolineFL
creamy
alpha-angelica lactoneFL/FR
earthy
2-methyl-3-propyl pyrazineFL/FR
ethereal
 allyl 2-ethyl butyrateFL/FR
fatty
 coconut absoluteFL/FR
2-heptyl furanFL/FR
(E,E)-2,4-nonadienalFL
fishy
4,5-dimethyl thiazoleFL
fruity
2,4-hexadien-1-olFL
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
 propyl benzoateFL/FR
fusel
2-methyl butyraldehydeFL/FR
green
2,5-dimethyl thiopheneFL
4-methyl thiazoleFL
2-methyl-5-isopropyl pyrazineFL
2-vinyl pyrazineFL
lactonic
gamma-heptalactoneFL/FR
musty
 hazelnut pyrazineFL/FR
 menthofuranFL/FR
 shoyu pyrazineFL/FR
2,3,5-trimethyl pyrazineFL/FR
naphthyl
para-methyl anisoleFL/FR
nutty
3-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3-ethyl pyrazineFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
3,6-cocoa pyrazineFL/FR
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,3-dimethyl pyrazineFL/FR
2,4-dimethyl-5-vinyl thiazoleFL
2-ethyl pyrazineFL/FR
1-ethyl-2-acetyl pyrroleFL
 filbert heptenoneFL/FR
 filbert pyrazineFL/FR
european hazelnut oleoresinFL
2,6-lutidineFL/FR
2-methyl pyrazineFL/FR
5-methyl quinoxalineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
 peanut oxazoleFL
2,3,5,6-tetramethyl pyrazineFL/FR
 vinyl sulfurolFL/FR
popcorn
2-propionyl-2-thiazolineFL
roasted
2-acetyl pyrazineFL/FR
 furfuryl thioacetateFL/FR
toasted
 acetyl propionylFL/FR
waxy
para-cresyl laurateFL/FR
winey
isoamyl nonanoateFL/FR
5-ethyl-2-methyl pyridineFL
 valeraldehydeFL/FR
 whiskey lactoneFL/FR
 
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Potential Uses:
 nutFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2-butyl-4-methyl-1,3-dioxolane
1,3-dioxolane, 2-butyl-4-methyl-
1,3-dioxolane,2-butyl-4-methyl-
 pentanal propyleneglycol acetal
 valeraldehyde PG acetal
 valeraldehyde propyleneglycol acetal
 valeraldehyde propyleneglycol acetal,
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