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

acetaldehyde 1,3-octane diol acetal
2-methyl-4-pentyl-1,3-dioxane

Supplier Sponsors

Name:2-methyl-4-pentyl-1,3-dioxane
CAS Number: 202188-43-0Picture of molecule3D/inchi
FDA UNII:V0W9UH6J00
Nikkaji Web:J1.311.794B
XlogP3-AA:3.00 (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:1749 acetaldehyde 1,3-octanediol acetal
FEMA Number:4376 acetaldehyde 1,3-octanediol acetal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: ACETALDEHYDE 1,3-OCTANEDIOL ACETAL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 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:1.42900 to 1.43300 @ 20.00 °C.
Boiling Point: 219.00 to 220.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.333000 mm/Hg @ 25.00 °C. (est)
Flash Point: 74.79 °F. TCC ( 23.77 °C. ) (est)
logP (o/w): 2.858 (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 ethereal musty
Odor Description:at 10.00 % in dipropylene glycol. green ethereal musty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
acetaldehyde 1,3-octane 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 acetaldehyde 1,3-octane 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): 0.200001.00000
beverages(alcoholic): 0.400002.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 0.500002.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 1.000005.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 0.500002.50000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11105826
National Institute of Allergy and Infectious Diseases:Data
2-methyl-4-pentyl-1,3-dioxane
Chemidplus:0202188430
 
References:
 2-methyl-4-pentyl-1,3-dioxane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11105826
Pubchem (sid):42160746
 
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):HMDB32155
FooDB:FDB008884
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
iso
amyl benzoate
FL/FR
citrus
2-
heptanol
FL/FR
ethereal
acetal
FL/FR
acetaldehyde dimethyl acetal
FL/FR
cyclohexyl formate
FL/FR
ethyl 4-pentenoate
FL/FR
ethyl formate
FL/FR
1-
hexen-3-ol
FL/FR
2-
methyl valeraldehyde
FL/FR
propyl formate
FL/FR
fatty
methyl (E)-2-hexenoate
FL/FR
floral
boronia absolute
FL/FR
fruity
acetaldehyde dihexyl acetal
FL/FR
acetaldehyde diisoamyl acetal
FL/FR
allyl amyl glycolate
FR
allyl butyrate
FL/FR
iso
amyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl octanoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
cyclohexyl acetate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl 2-cyclohexyl propionate
FR
ethyl 2-octenoate
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
heptanal cyclic ethylene acetal
FR
2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
nerolidyl isobutyrate
FR
octen-1-yl cyclopentanone
FL/FR
octyl butyrate
FL/FR
2-
pentyl furan
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
rhubarb undecane
FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical thiazole
FL/FR
green
iso
amyl formate
FL/FR
cognac heptanone
FL/FR
alpha-
decalactone
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
hexyl octanoate
FL/FR
manzanate (Givaudan)
FL/FR
phenoxyethyl isobutyrate
FL/FR
propylene acetal
FL/FR
tiglaldehyde
FL/FR
violet dienyne
FR
tropical
beta-
cyclocitral
FL/FR
waxy
octyl 2-methyl butyrate
FL/FR
woody
verdoxan
FR
For Flavor
No flavor group found for these
acetaldehyde diisoamyl acetal
FL/FR
acetyl acetaldehyde dimethyl acetal
FL
2-
cyclopentyl cyclopentanone
FL/FR
alpha-
decalactone
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
ethyl 4-pentenoate
FL/FR
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
hexyl (E)-2-hexenoate
FL
methyl (E)-2-hexenoate
FL/FR
(E)-2-
methyl-2-octenal
FL
2-
methyl-2-octenal
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
propylene acetal
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
citrus
cognac heptanone
FL/FR
cooling
manzanate (Givaudan)
FL/FR
estery
ethyl acetoacetate
FL/FR
ethereal
acetaldehyde dimethyl acetal
FL/FR
ethyl formate
FL/FR
fruity
iso
amyl benzoate
FL/FR
iso
amyl octanoate
FL/FR
boronia absolute
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl 2-octenoate
FL/FR
furfuryl propionate
FL
2-
heptanol
FL/FR
2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl acetate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
octen-1-yl cyclopentanone
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl formate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tiglaldehyde
FL/FR
green
acetaldehyde dihexyl acetal
FL/FR
allyl butyrate
FL/FR
iso
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
cyclohexyl formate
FL/FR
2-
ethyl butyraldehyde
FL
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
1-
hexen-3-ol
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl (E)-tiglate
FL/FR
hexyl octanoate
FL/FR
methyl 2-undecynoate
FL
2-
pentyl furan
FL/FR
phenoxyethyl isobutyrate
FL/FR
nutty
acetal
FL/FR
rummy
(E)-2-
hexen-1-yl formate
FL/FR
solvent
cyclohexyl acetate
FL/FR
tropical
beta-
cyclocitral
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
iso
amyl butyrate
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl butyrate
FL/FR
 
Potential Uses:
FLabsinthe
FRagrumen aldehyde
 algae
 amaryllis
FLapple green apple
FLartichoke
FL/FRasafoetida
FLasparagus
FLavocado
FRbasil oil replacer
 boxwood
 boxwood blossom
 boxwoodberry
FL/FRcajeput
FLcarrot
FL/FRcarrot seed
FRcassie
FRcelery
FRchamomile
FL/FRcilantro
FRclary sage oil replacer
FRclematis
FLcognac
 cortex
FRcostus
FLcucumber
FL/FRcurrant bud absolute replacer
FRdaffodil
FL/FRdill weed
FRelemi
FRevergreen
FRfennel
FRfern
FLfig
 fir
FRfir balsam
 foliage
FRgalbanum
 geranium
FL/FRgeranium rose
 grass
FLgreen
FRgreen grass
FRgreen leaf
FLguava
FRhop
FRhyacinth
FRhydrangea
 ivy leaf
FRjonquil
 leaf
 lettuce
 liverwort
FRlotus
FL/FRmarjoram
FLmimosa
FRnarcissus
FRoregano
FRpansy
FL/FRparsley leaf
 pea green pea
FLpear prickly pear
FLpepper bell pepper
FL/FRpine scotch pine
 privet
 privet blossom
FRreseda
 rhubarb
FLroot beer
FL/FRrose leaf
 stem
 strawberry leaf
FLtomato
FRtomato leaf
FL/FRvalerian
FLvegetable
 vegetation tropical hothouse vegetation
 vine
FRviolet leaf
 weedy
FLwintergreen
FRwormwood oil replacer
FRyew
 
Occurrence (nature, food, other):note
 cider
Search PMC Picture
 
Synonyms:
 acetaldehyde 1,3-octanediol acetal
(+/-)-acetaldehyde 1,3-octanediol acetal
1,3-dioxane, 2-methyl-4-pentyl-
2-methyl-4-pentyl-1,3-dioxane
 

Articles:

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