N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
N-(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide
 
Notes:
Used as a food additive [EAFUS]
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CAS Number: 745047-51-2Picture of molecule3D/inchi
FDA UNII: 4E1875N4ZT
Molecular Weight: 263.33697000
Formula: C15 H21 N O3
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: (Flavour Industry, 2006c).
Category: flavoring agents
 
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JECFA Food Flavoring: 1767  N-(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide
DG SANTE Food Flavourings: 16.098  N-(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide
FEMA Number: 4232 N-(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):745047-51-2 ; N-(HEPTAN-4-YL)BENZO[D][1,3]DIOXOLE-5-CARBOXAMIDE
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Physical Properties:
Appearance: white powder (est)
Assay: 99.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 116.00 °C. @ 760.00 mm Hg
Boiling Point: 378.00 to  379.00 °C. @ 760.00 mm Hg (est)
Flash Point: 361.00 °F. TCC ( 183.00 °C. ) (est)
logP (o/w): 3.276 (est)
Soluble in:
 alcohol, slightly
 water, 5.817 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
 
Flavor Type: savory
 
 savory  meaty  
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
1,3-Benzodioxole-5-carboxamide,N-(1-propylbutyl)-
Parchem
N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 470 (μg/person/day)
NOEL (No Observed Effect Level): 20.00 (mg/kg bw per day)
Threshold of Concern:90 (μg/person/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: 22. Update in publication number(s): 27
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: 1.000002.00000
beverages(nonalcoholic): 2.000005.00000
beverages(alcoholic): 2.000005.00000
breakfast cereal: --
cheese: 1.000003.00000
chewing gum: --
condiments / relishes: 2.000004.00000
confectionery froastings: --
egg products: 2.000005.00000
fats / oils: 2.000004.00000
fish products: 1.000003.00000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 2.000004.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 1.000003.00000
milk products: --
nut products: 2.000005.00000
other grains: --
poultry: 1.000003.00000
processed fruits: --
processed vegetables: 1.000003.00000
reconstituted vegetables: 2.000005.00000
seasonings / flavors: 5.0000010.00000
snack foods: 5.0000010.00000
soft candy: --
soups: 2.000004.00000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 1.000005.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.000004.00000
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): 1.000003.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 1.000003.00000
Confectionery (05.0): --
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 1.000002.00000
Meat and meat products, including poultry and game (08.0): 1.000003.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000003.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): 5.0000010.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 1.000003.00000
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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):
Scientific Opinion on Flavouring Group Evaluation 94: Consideration of aliphatic amines and amides evaluated in addendum to the JECFA group aliphatic and aromatic amines and amides by JECFA
View page or View pdf
(FGE.94Rev1): Consideration of aliphatic amines and amides evaluated in an addendum to the group of aliphatic and aromatic amines and amides evaluated by the JECFA (68th meeting)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 94, Revision 2 (FGE.94Rev2): Consideration of aliphatic amines and amides evaluated in an addendum to the group of aliphatic and aromatic amines and amides evaluated by the JECFA (68th meeting)
View page or View pdf
EPI System: View
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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 22831877
National Institute of Allergy and Infectious Diseases: Data
 N-(heptan-4-yl)-1,3-benzodioxole-5-carboxamide
Chemidplus: 0745047512
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References:
 N-(heptan-4-yl)-1,3-benzodioxole-5-carboxamide
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 22831877
Pubchem (sid): 126508587
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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
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32305
FooDB: FDB009549
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
alliaceous
 dimethyl trisulfideFL/FR
 rum etherFL/FR
coffee
 coffee difuranFL/FR
 meaty dithianeFL/FR
4-methyl nonanoic acidFL/FR
 sulfuryl acetateFL/FR
musty
 hazelnut pyrazineFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2-methyl pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
 ethyl 3-mercaptopropionateFL/FR
 fish thiolFL/FR
2-mercaptopropionic acidFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
1-phenethyl mercaptanFL/FR
 
For Flavor
 
No flavor group found for these
4-acetyl-2-methyl pyrimidineFL
gamma-aminobutyric acidFL
 amyl mercaptanFL
2-(2-butyl)-4,5-dimethyl-3-thiazolineFL
 cyclopropyl (E,Z)-2,6-nonadienamideFL
2,5-diethyl thiazoleFL
 dimethyl tetrasulfideFL
2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanoneFL
bis(2,5-dimethyl-3-furyl) disulfideFL
2,5-dimethyl-3-thiofuroyl furanFL
 ethyl (E,Z)-2,6-nonadienamideFL
S-ethyl 2-acetyl aminoethane thioateFL
 ethyl 3-mercaptopropionateFL/FR
 ethyl 4-(acetyl thio) butyrateFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
 methyl dihydrofuran thiolFL
2-methyl thiazolidineFL
2-(methyl thio) ethanolFL
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-furyl tetrasulfideFL
3-((2-methyl-3-furyl)thio)-4-heptanoneFL
4-((2-methyl-3-furyl)thio)-5-nonanoneFL
1,9-nonane dithiolFL
 peanut dithiazineFL
1-phenethyl mercaptanFL/FR
1,3-propane dithiolFL
 propyl 2-methyl-3-furyl disulfideFL
isopropyl disulfideFL
 thiazoleFL
3-thienyl mercaptanFL
N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amideFL
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamideFL
4-mercapto-2-pentanone 1% in acetoinFL
2-methyl-1-methyl thio-2-buteneFL
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazineFL
1-(2-thienyl) butanoneFL
alliaceous
1,3-butane dithiolFL
 dimethyl trisulfideFL/FR
3-tetrahydrothiophenoneFL
burnt
 bacon dithiazineFL
1,6-hexane dithiolFL
 rum etherFL/FR
chemical
2,5-dimethyl furanFL
cocoa
 butyraldehydeFL
coffee
 coffee difuranFL/FR
earthy
 difurfuryl sulfideFL
1,8-octane dithiolFL
eggy
isopropyl mercaptanFL
fatty
4-methyl nonanoic acidFL/FR
meaty
4-allyl-2,6-dimethoxyphenolFL
2,6-dimethyl thiophenolFL
2,5-dimethyl-3-furan thiolFL
1,1-ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%FL
4-furfuryl thio-2-pentanoneFL
 meaty dithianeFL/FR
2-mercaptomethyl pyrazineFL
2-mercaptopropionic acidFL/FR
2-methyl 3-(methyl thio) furanFL
12-methyl tridecanalFL
bis(2-methyl-3-furyl) disulfideFL
S-(2-methyl-3-furyl) ethane thioateFL
2-methyl-3-tetrahydrofuran thiolFL
 propyl 2-mercaptopropionateFL
 pyrazinyl ethane thiolFL
2-pyridinyl methane thiolFL
 sulfuryl acetateFL/FR
 thialdineFL
ortho-thiocresolFL
ortho-thioguaiacolFL
metallic
2,5-dihydroxy-1,4-dithianeFL
musty
 hazelnut pyrazineFL/FR
nutty
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2-methyl pyrazineFL/FR
 nutty thiazoleFL
onion
 furfuryl isopropyl sulfideFL
popcorn
2-propionyl-2-thiazolineFL
roasted
 hexyl mercaptanFL
savory
N-(2,4-dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N1-(2-methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N1-(2-methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamideFL
sulfurous
2,3-butane dithiolFL
S-ethyl thioacetateFL
 fish thiolFL/FR
 methyl 2-methyl-3-furyl disulfideFL
3-methyl-2-butane thiolFL
2-naphthyl mercaptanFL
 roasted butanolFL
vegetable
 tyramineFL
 
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Potential Uses:
 meatFL
 savoryFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
1,3-benzodioxole-5-carboxamide,N-(1-propylbutyl)-
N-(heptan-4-yl)-1,3-benzodioxole-5-carboxamide
N-(heptan-4-yl)benzo[d](1,3)dioxole-5-carboxamide
N-(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide
N-(4-heptanyl)-1,3-benzodioxole-5-carboxamide
N-(1-propyl butyl)-N-(1-propyl butyl)-1,3-benzodioxole-5-carboxamide
N-(1-propylbutyl)-1,3-benzodioxole-5-carboxamide
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