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N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
N-(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide

Supplier Sponsors

Name:N-(heptan-4-yl)-1,3-benzodioxole-5-carboxamide
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, Edge or firefox)
EFSA/JECFA Comments:
(Flavour Industry, 2006c).
Category:flavoring 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
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Perfumer and Flavorist:Search
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
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
 
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
 
Organoleptic Properties:
Flavor Type: savory
savory meaty
Taste Description: savory meaty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
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 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:
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, 30
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: 2.000005.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 2.000004.00000
hard candy: --
imitation dairy: 2.000005.00000
instant coffee / tea: 2.000005.00000
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 (05.3): --
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
 
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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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
 
References:
 N-(heptan-4-yl)-1,3-benzodioxole-5-carboxamide
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):22831877
Pubchem (sid):126508587
 
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
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
burnt
rum ether
FL/FR
coffee
coffee difuran
FL/FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
sulfuryl acetate
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
methyl pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
sulfurous
ethyl 3-mercaptopropionate
FL/FR
fish thiol
FL/FR
2-
mercaptopropionic acid
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
1-
phenethyl mercaptan
FL/FR
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
gamma-
aminobutyric acid
FL
amyl mercaptan
FL
2-(2-
butyl)-4,5-dimethyl-3-thiazoline
FL
cyclopropyl (E,Z)-2,6-nonadienamide
FL
2,5-
diethyl thiazole
FL
dimethyl tetrasulfide
FL
2,6-
dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL
bis(2,5-
dimethyl-3-furyl) disulfide
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
ethyl (E,Z)-2,6-nonadienamide
FL
S-
ethyl 2-acetyl aminoethane thioate
FL
ethyl 3-mercaptopropionate
FL/FR
ethyl 4-(acetyl thio) butyrate
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl dihydrofuran thiol
FL
2-
methyl thiazolidine
FL
2-(
methyl thio) ethanol
FL
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-furyl tetrasulfide
FL
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
1,9-
nonane dithiol
FL
peanut dithiazine
FL
1-
phenethyl mercaptan
FL/FR
1,3-
propane dithiol
FL
iso
propyl disulfide
FL
thiazole
FL
3-
thienyl mercaptan
FL
N-(2-(3,4-
dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
4-
mercapto-2-pentanone 1% in acetoin
FL
2-
methyl-1-methyl thio-2-butene
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
1-(2-
thienyl) butanone
FL
alliaceous
alliaceous
1,3-
butane dithiol
FL
dimethyl trisulfide
FL/FR
3-
tetrahydrothiophenone
FL
burnt
bacon dithiazine
FL
1,6-
hexane dithiol
FL
rum ether
FL/FR
chemical
2,5-
dimethyl furan
FL
cocoa
butyraldehyde
FL
coffee
coffee difuran
FL/FR
earthy
difurfuryl sulfide
FL
1,8-
octane dithiol
FL
eggy
iso
propyl mercaptan
FL
fatty
4-
methyl nonanoic acid
FL/FR
meaty
4-
allyl-2,6-dimethoxyphenol
FL
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
4-
furfuryl thio-2-pentanone
FL
meaty dithiane
FL/FR
2-
mercaptomethyl pyrazine
FL
2-
mercaptopropionic acid
FL/FR
2-
methyl 3-(methyl thio) furan
FL
12-
methyl tridecanal
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
propyl 2-mercaptopropionate
FL
propyl 2-methyl-3-furyl disulfide
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
sulfuryl acetate
FL/FR
thialdine
FL
ortho-
thiocresol
FL
ortho-
thioguaiacol
FL
metallic
2,5-
dihydroxy-1,4-dithiane
FL
musty
hazelnut pyrazine
FL/FR
nutty
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
methyl pyrazine
FL/FR
nutty thiazole
FL
onion
furfuryl isopropyl sulfide
FL
popcorn
2-
propionyl-2-thiazoline
FL
roasted
hexyl mercaptan
FL
savory
N-(2,4-
dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL
N1-(2-
methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL
N1-(2-
methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
FL
sulfurous
2,3-
butane dithiol
FL
S-
ethyl thioacetate
FL
fish thiol
FL/FR
methyl 2-methyl-3-furyl disulfide
FL
3-
methyl-2-butane thiol
FL
2-
naphthyl mercaptan
FL
roasted butanol
FL
vegetable
tyramine
FL
 
Potential Uses:
FLmeat
FLsavory
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 
 
Notes:
Used as a food additive [EAFUS]
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