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

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

Supplier Sponsors

Name:1-heptoxy-3-hydroxypropan-2-one
CAS Number: 72854-42-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:276-947-0
FDA UNII:5I30XVD432
CoE Number:2016
XlogP3-AA:2.10 (est)
Molecular Weight:188.26700000
Formula:C10 H20 O3
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Mixture of acetals (56-58% dioxolane; 37-39% dioxane) and 1-2% unreacted heptanal. (EFSA)
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
FLAVIS Number:06.029 (Old)
DG SANTE Food Flavourings:06.029 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)
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear 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: 297.00 to 298.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000137 mmHg @ 25.00 °C. (est)
Flash Point: 227.00 °F. TCC ( 108.33 °C. )
logP (o/w): 2.574 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 1887 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: earthy
Odor Strength:medium
earthy fungal green oily sweet
Odor Description:at 100.00 %. earthy fungal green oily sweet
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
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: flavor and fragrance agents
Recommendation for heptanal cyclic acetal with glycerol usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.30 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.00 (μg/capita/day)
Structure Class: III
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:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab)
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):72854-42-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :175220
National Institute of Allergy and Infectious Diseases:Data
1-heptoxy-3-hydroxypropan-2-one
Chemidplus:0072854423
 
References:
 1-heptoxy-3-hydroxypropan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):175220
Pubchem (sid):135154042
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
FooDB:FDB009545
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
(E)-
benzyl tiglate
FL/FR
bornyl formate
FL/FR
citrus
valencene
FL/FR
coconut
delta-
heptalactone
FL/FR
creamy
butyl lactate
FL/FR
earthy
dibenzyl ether
FL/FR
heptanal glyceryl acetal
FL/FR
methyl undecylenate
FL/FR
mushroom absolute
FL/FR
1-
nonen-3-ol
FL/FR
3-
octanol
FL/FR
1-
octen-3-ol
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
gardenia pentyl acetate
FR
herbal pyran
FR
jasmopyrane (Givaudan)
FR
linalool oxide
FL/FR
methyl jasmonate
FL/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
2-
phenyl propyl acetate
FL/FR
fruity
amyl formate
FL/FR
butyl 2-decenoate
FL/FR
iso
butyl octanoate
FL/FR
nerolidyl isobutyrate
FR
octyl butyrate
FL/FR
octyl propionate
FL/FR
2-
pentyl furan
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
tropical trithiane
FL/FR
fungal
1-
decen-3-ol
FL/FR
fungus fragrance
FR
methyl 2-furoate
FL/FR
green
coriander heptenol
FL/FR
earthy acetal
FL/FR
geranium absolute
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
melon acetal
FL/FR
2-(2-
methyl allyl oxy) heptane
FR
6-
methyl-3-hepten-2-one
FL/FR
olive oil absolute
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
1-
phenyl-2-pentanol
FL/FR
privet dioxane
FR
violet decenol
FR
herbal
alpha-
amyl cinnamyl formate
FL/FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
3-
octanone
FL/FR
laevo-
perillaldehyde
FL/FR
honey
phenethyl furoate
FL/FR
melon
melon heptenal
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
octyl isobutyrate
FL/FR
woody
louro brasileiro wood oil
FR
sabinene
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
alpha-
amyl cinnamyl formate
FL/FR
benzyl disulfide
FL
bornyl formate
FL/FR
iso
butyl octanoate
FL/FR
coriander heptenol
FL/FR
earthy acetal
FL/FR
heptanal glyceryl acetal
FL/FR
tris(
methyl thio) methane
FL
(E)-6-
methyl-3-hepten-2-one
FL/FR
6-
methyl-3-hepten-2-one
FL/FR
nonyl octanoate
FL/FR
(E)-2-
penten-1-ol
FL
2-
pentyl-1-buten-3-one
FL
phenethyl furoate
FL/FR
2-
phenyl propyl acetate
FL/FR
aromatic
aromatic
laevo-
perillaldehyde
FL/FR
balsamic
(E)-
benzyl tiglate
FL/FR
buttery
butyl laevo-lactate
FL/FR
camphoreous
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
caramellic
methyl 2-furoate
FL/FR
citrus
valencene
FL/FR
creamy
octyl isobutyrate
FL/FR
dairy
butyl lactate
FL/FR
earthy
1-
decen-3-ol
FL/FR
difurfuryl sulfide
FL
mushroom absolute
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
(E,E)-2,4-
heptadienal
FL
fermented
methyl thio isovalerate
FL
floral
methyl jasmonate
FL/FR
fruity
amyl formate
FL/FR
butyl 2-decenoate
FL/FR
dibenzyl ether
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
1-
phenyl-2-pentanol
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
tropical trithiane
FL/FR
green
geranium absolute
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
linalool oxide
FL/FR
melon acetal
FL/FR
melon heptenal
FL/FR
2-
pentyl furan
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
propylene glycol acetone ketal
FL
sorbyl acetate
FL
lactonic
delta-
heptalactone
FL/FR
mushroom
3-
octanone
FL/FR
3-
octen-2-ol
FL/FR
1-
octen-3-ol
FL/FR
(R)-1-
octen-3-ol
FL/FR
1-
octen-3-yl butyrate
FL/FR
musty
3-
octanol
FL/FR
oily
olive oil absolute
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
octyl butyrate
FL/FR
woody
sabinene
FL/FR
 
Potential Uses:
FRearth
FRfungus
FRgardenia
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 aldehyde C-7 cyclic acetal with glycerol
 heptanal cyclic acetal with 1,2,3-propane triol
 heptanal glyceryl acetal (mixed 1,2 and 1,3 acetals)
 heptanal, cyclic acetal with 1,2,3-propanetriol
 heptanal, cyclic acetal with glycerol
1-heptoxy-3-hydroxy-2-propanone
1-heptoxy-3-hydroxypropan-2-one
 

Articles:

 None found yet.
 
Notes:
None found
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy