heptanal glyceryl acetal
heptanal glyceryl acetal (mixed 1,2 and 1,3 acetals)
 
Notes:
Used as a food additive [EAFUS]
  • BOC Sciences
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      Product(s):
      1708-35-6 2-Hexyl-1,3-dioxolane-4-methanol
       
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      Product(s):
      08-07500 HEPTANAL GLYCERYL ACETAL
       
  • Ernesto Ventós
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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
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Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
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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 (SATF):977043-66-5 ; HEPTANAL GLYCERYL ACETAL (MIXED 1,2 AND 1,3 ACETALS)
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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 mmHg @ 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
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Organoleptic Properties:
 
Odor Type: earthy
 
Odor Strength: medium
 
 earthy  fungal  mossy  green  sweet  
Odor Description:
at 100.00 %. 
earthy fungal mossy green sweet
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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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
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:
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
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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 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
Click here to view publication 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: --
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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
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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
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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
HMDB (The Human Metabolome Database): Search
FooDB: FDB009545
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
balsamic
balsamic
(E)-benzyl tiglateFL/FR
creamy
 butyl lactateFL/FR
earthy
 dibenzyl etherFL/FR
2-ethyl fencholFL/FR
 geosminFL/FR
 geosminFL/FR
 heptanal cyclic acetal with glycerolFL/FR
 methyl undecylenateFL/FR
 mushroom absoluteFL/FR
1-nonen-3-olFL/FR
3-octanolFL/FR
1-octen-3-oneFL/FR
fatty
(E)-2-decenalFL/FR
 methyl 10-undecenoateFL/FR
fermented
 butyl laevo-lactateFL/FR
floral
6,8-dimethyl-2-nonanolFR
 herbal pyranFR
 nonyl octanoateFL/FR
 octyl acetateFL/FR
 phenethyl butyl etherFR
2-phenyl propionaldehyde dimethyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
fruity
 octyl propionateFL/FR
fungal
1-decen-3-olFL/FR
 fungus fragranceFR
 methyl 2-furoateFL/FR
green
 earthy acetalFL/FR
 forest fragranceFR
(Z)-3-hexen-1-yl tiglateFL/FR
(Z)-leaf acetalFL/FR
 melon acetalFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
herbal
3-octanoneFL/FR
honey
 phenethyl furoateFL/FR
mossy
 oakmoss absoluteFL/FR
 oakmoss absolute color reducedFL/FR
 oakmoss absolute replacerFR
3-octen-2-olFL/FR
(R)-1-octen-3-olFL/FR
1-octen-3-yl butyrateFL/FR
vegetable
endo-1,2,3,3-tetramethyl bicyclo(2.2.1)heptan-2-olFR
waxy
 methyl laurateFL/FR
(Z)-3-nonen-1-olFL/FR
woody
 moss naphthaleneolFR
 patchouli woody amber fragranceFR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
 earthy acetalFL/FR
 geosminFL/FR
 heptanal cyclic acetal with glycerolFL/FR
tris(methyl thio) methaneFL
 nonyl octanoateFL/FR
(E)-2-penten-1-olFL
2-pentyl-1-buten-3-oneFL
 phenethyl furoateFL/FR
balsamic
(E)-benzyl tiglateFL/FR
buttery
 butyl laevo-lactateFL/FR
caramellic
 methyl 2-furoateFL/FR
dairy
 butyl lactateFL/FR
earthy
1-decen-3-olFL/FR
 difurfuryl sulfideFL
2-ethyl fencholFL/FR
 geosminFL/FR
 mushroom absoluteFL/FR
1-nonen-3-olFL/FR
1,8-octane dithiolFL
1-octen-3-oneFL/FR
estery
 octyl propionateFL/FR
fatty
 dimethyl sulfoxideFL
fermented
 methyl thio isovalerateFL
fruity
 dibenzyl etherFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
green
(Z)-3-hexen-1-yl tiglateFL/FR
(Z)-leaf acetalFL/FR
 melon acetalFL/FR
 oakmoss absoluteFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
mossy
 oakmoss absolute color reducedFL/FR
mushroom
3-octanoneFL/FR
3-octen-2-olFL/FR
(R)-1-octen-3-olFL/FR
1-octen-3-yl butyrateFL/FR
musty
3-octanolFL/FR
sulfurous
1-(methyl thio)-2-butanoneFL
2-naphthyl mercaptanFL
vegetable
2-octen-4-oneFL/FR
waxy
(E)-2-decenalFL/FR
 methyl 10-undecenoateFL/FR
 methyl laurateFL/FR
 methyl undecylenateFL/FR
(Z)-3-nonen-1-olFL/FR
 octyl 2-furoateFL
 octyl acetateFL/FR
 
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Potential Uses:
 earthFR
 fungusFR
 gardeniaFR
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Occurrence (nature, food, other): note
 not found in nature
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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
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