heptanal glyceryl acetal

General Material Information

Preferred name	heptanal glyceryl acetal
Trivial Name	2-Hexyl-1,3-dioxolane-4-methanol
Short Description	heptanal glyceryl acetal (mixed 1,2 and 1,3 acetals)
Formula	C10 H20 O3
CAS Number	1708-35-6
FEMA Number	2542
ECHA Number	216-960-0
FDA UNII	63ZBP77DDC
Nikkaji Number	J42.147B
Beilstein Number	0108185
COE Number	2016
xLogP3-AA	2.10 (est)
NMR Predictor	External link
JECFA Food Flavoring	912 heptanal glyceryl acetal (mixed 1,2 and 1,3 acetals)
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	977043-66-5 ; HEPTANAL GLYCERYL ACETAL (MIXED 1,2 AND 1,3 ACETALS)
Synonyms	aldehyde C-7 glyceryl acetal heptanal 1,2-glyceryl acetal heptanal cyclic (hydroxymethyl) ethylene 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 (2-hexyl-1,3-dioxolan-4-yl)methanol 1,3-Dioxolane-4-methanol, 2-hexyl- 2-Hexyl-1,3-dioxolane-4-methanol Heptanal cyclic (hydroxymethyl)ethylene acetal

(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

BOC Sciences	Ernesto Ventós
Penta International	Penta International Corporation
Ernesto Ventós S.A.

Material listed in food chemical codex	No
Molecular weight	188.26699829102
Specific gravity	@ 25 °C
Pounds per Gallon	8.238 to 8.346
Refractive Index	1.445 to 1.455 @ 20 °C
Boiling Point	271 to 272°C @ 760 mm Hg
Acid Value	1 max KOH/g
Vapor Pressure	0.001 mmHg @ 25 °C
Flash Point TCC Value	132.22 °C TCC
logP (o/w)	2.207 est
Solubility
alcohol	Yes
water, very slightly	Yes
water, 1540 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Earthy
earthy, fungal, mossy, green, sweet
General comment	At 100.00 %. earthy fungal mossy green sweet


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

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
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 ppm	average 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:		-	-

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):1708-35-6

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :15571

National Institute of Allergy and Infectious Diseases:Data

(2-hexyl-1,3-dioxolan-4-yl)methanol

Chemidplus:0001708356