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heptanal glyceryl acetal
heptanal glyceryl acetal (mixed 1,2 and 1,3 acetals)

Sponsors

Name:(2-hexyl-1,3-dioxolan-4-yl)methanol
CAS Number: 1708-35-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:216-960-0
FDA UNII:63ZBP77DDC
Nikkaji Web:J42.147B
Beilstein Number:0108185
CoE Number:2016
XlogP3-AA:2.10 (est)
Molecular Weight:188.26700000
Formula:C10 H20 O3
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:912 heptanal glyceryl acetal (mixed 1,2 and 1,3 acetals)
FEMA Number:2542 heptanal glyceryl acetal (mixed 1,2 and 1,3 acetals)
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: HEPTANAL GLYCERYL ACETAL (MIXED 1,2 AND 1,3 ACETALS)
 
Physical Properties:
Appearance:colorless clear viscous liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.99000 to 1.00300 @ 25.00 °C.
Pounds per Gallon - (est).: 8.238 to 8.346
Refractive Index:1.44500 to 1.45500 @ 20.00 °C.
Boiling Point: 271.00 to 272.00 °C. @ 760.00 mm Hg
Boiling Point: 100.00 °C. @ 4.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 270.00 °F. TCC ( 132.22 °C. )
logP (o/w): 2.207 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 1540 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: earthy
Odor Strength:medium
earthy fungal sweet
Odor Description:at 100.00 %. earthy fungal sweet
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Hexyl-1,3-dioxolane-4-methanol
Ernesto Ventós
MOSSAROME SYNAROME
Odor: MOSS, UNDERGROWTH
Penta International
HEPTANAL GLYCERYL ACETAL, Kosher
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:
intraperitoneal-mouse LD50 439 mg/kg

intraperitoneal-mouse LD50 439 mg/kg
PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 85, Pg. 474, 1951.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for heptanal glyceryl 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: 3
 average usual ppmaverage maximum ppm
baked goods: -10.00000
beverages(nonalcoholic): -5.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -100.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -10.00000
fruit ices: -10.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -10.00000
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: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):1708-35-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :15571
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(2-hexyl-1,3-dioxolan-4-yl)methanol
Chemidplus:0001708356
 
References:
 (2-hexyl-1,3-dioxolan-4-yl)methanol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1708-35-6
Pubchem (cid):15571
Pubchem (sid):134979693
 
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
HMDB (The Human Metabolome Database):Search
FooDB:FDB009545
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
(E)-
benzyl tiglate
FL/FR
creamy
butyl lactate
FL/FR
earthy
dibenzyl ether
FL/FR
2-
ethyl fenchol
FL/FR
geosmin
FL/FR
geosmin
FL/FR
heptanal cyclic acetal with glycerol
FL/FR
methyl undecylenate
FL/FR
1-
nonen-3-ol
FL/FR
3-
octanol
FL/FR
1-
octen-3-one
FL/FR
fatty
(E)-2-
decenal
FL/FR
methyl 10-undecenoate
FL/FR
fermented
butyl laevo-lactate
FL/FR
floral
6,8-
dimethyl-2-nonanol
FR
herbal pyran
FR
nonyl octanoate
FL/FR
octyl acetate
FL/FR
phenethyl butyl ether
FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
2-
phenyl propionaldehyde ethylene glycol acetal
FR
fruity
octyl propionate
FL/FR
fungal
1-
decen-3-ol
FL/FR
methyl 2-furoate
FL/FR
green
earthy acetal
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
melon acetal
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
herbal
3-
octanone
FL/FR
honey
phenethyl furoate
FL/FR
mushroom
3-
octen-2-ol
FL/FR
(R)-1-
octen-3-ol
FL/FR
1-
octen-3-yl butyrate
FL/FR
waxy
methyl laurate
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
earthy acetal
FL/FR
geosmin
FL/FR
heptanal cyclic acetal with glycerol
FL/FR
tris(
methyl thio) methane
FL
nonyl octanoate
FL/FR
(E)-2-
penten-1-ol
FL
2-
pentyl-1-buten-3-one
FL
phenethyl furoate
FL/FR
balsamic
balsamic
(E)-
benzyl tiglate
FL/FR
buttery
butyl laevo-lactate
FL/FR
caramellic
methyl 2-furoate
FL/FR
dairy
butyl lactate
FL/FR
earthy
1-
decen-3-ol
FL/FR
2-
ethyl fenchol
FL/FR
geosmin
FL/FR
1-
nonen-3-ol
FL/FR
1,8-
octane dithiol
FL
1-
octen-3-one
FL/FR
estery
octyl propionate
FL/FR
fatty
dimethyl sulfoxide
FL
fermented
methyl thio isovalerate
FL
fruity
dibenzyl ether
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
green
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
melon acetal
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
mushroom
3-
octanone
FL/FR
3-
octen-2-ol
FL/FR
(R)-1-
octen-3-ol
FL/FR
1-
octen-3-yl butyrate
FL/FR
musty
3-
octanol
FL/FR
sulfurous
1-(
methyl thio)-2-butanone
FL
2-
naphthyl mercaptan
FL
vegetable
2-
octen-4-one
FL/FR
waxy
(E)-2-
decenal
FL/FR
methyl 10-undecenoate
FL/FR
methyl laurate
FL/FR
methyl undecylenate
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
octyl 2-furoate
FL
octyl acetate
FL/FR
 
Potential Uses:
FRearth
FRfungus
FRgardenia
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 aldehyde C-7 glyceryl acetal
 heptanal 1,2-glyceryl acetal
 heptanal cyclic (hydroxymethyl) ethylene acetal
 heptanal glyceryl acetal
 heptanal glyceryl acetal (1,2 acetal)
 heptanal glyceryl acetal (mixed 1,2 and 1,3 acetals)
(2-hexyl-1,3-dioxolan-4-yl)methanol
2-hexyl-1,3-dioxolane-4-methanol
 

Articles:

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Notes:
Used as a food additive [EAFUS]
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