| Name: | (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-(2-hydroxyethyl)hexanamide |
| CAS Number: | 686298-93-1 |  3D/inchi
|
| FDA UNII: | Search |
| XlogP3-AA: | -4.30 (est) |
| Molecular Weight: | 239.22489000 |
| Formula: | C8 H17 N O7 |
| BioActivity Summary: | listing |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| (Flavour Industry, 2008b). Register name to be changed to 2,3,4,5,6-Pentahydroxy-N-(2-hydroxyethyl)hexanamide.
Mixture of diastereoisomers (EFFA, 2010a). Only one diastereomer (2R,3S,4S,5R) (Flavour Industry, 2012b).
Register name to be changed to (2R,3S,4S,5R)-2,3,4,5,6-Pentahydroxy-N-(2-hydroxyethyl)hexanamide. (Flavour Industry, 2008b). |
Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | white crystalline powder (est) |
| Assay: | 99.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Melting Point: | 99.00 to 100.00 °C. @ 760.00 mm Hg
|
| Boiling Point: | 744.00 to 745.00 °C. @ 760.00 mm Hg (est)
|
| Flash Point: | 759.00 °F. TCC ( 403.90 °C. ) (est)
|
| logP (o/w): | -2.297 (est) |
| Soluble in: |
| | alcohol, slightly | | | water, 1e+006 mg/L @ 25 °C (est) |
Organoleptic Properties:
| Flavor Type: roasted |
| cooked brown roasted |
| Taste Description: cooked brown roasted |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
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: |
oral-mouse LD50 4000 mg/kg
(Dubois et al., 1992)
|
| Dermal Toxicity: |
|
Not determined
|
| Inhalation Toxicity: |
|
Not determined
|
Safety in Use Information:
| Category: | | flavoring agents |
| Recommendation for gluconyl ethanolamine usage levels up to: | | | not for fragrance use.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 24.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 13.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 27000 (μg/person/day) |
| Threshold of Concern: | 1800 (μg/person/day) |
| Structure Class: | I |
| 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: 23. Update in publication number(s): 24 |
| Click here to view publication 23 |
| | average usual ppm | average maximum ppm |
| baked goods: | 50.00000 | 200.00000 |
| beverages(nonalcoholic): | 50.00000 | 200.00000 |
| beverages(alcoholic): | 50.00000 | 200.00000 |
| breakfast cereal: | 50.00000 | 200.00000 |
| cheese: | 50.00000 | 200.00000 |
| chewing gum: | 50.00000 | 200.00000 |
| condiments / relishes: | 50.00000 | 200.00000 |
| confectionery froastings: | 50.00000 | 200.00000 |
| egg products: | 50.00000 | 200.00000 |
| fats / oils: | 50.00000 | 200.00000 |
| fish products: | 50.00000 | 200.00000 |
| frozen dairy: | 50.00000 | 200.00000 |
| fruit ices: | 50.00000 | 200.00000 |
| gelatins / puddings: | 50.00000 | 200.00000 |
| granulated sugar: | 50.00000 | 200.00000 |
| gravies: | 50.00000 | 200.00000 |
| hard candy: | 50.00000 | 200.00000 |
| imitation dairy: | 50.00000 | 200.00000 |
| instant coffee / tea: | 50.00000 | 200.00000 |
| jams / jellies: | 50.00000 | 200.00000 |
| meat products: | 50.00000 | 200.00000 |
| milk products: | 50.00000 | 200.00000 |
| nut products: | 50.00000 | 200.00000 |
| other grains: | 50.00000 | 200.00000 |
| poultry: | 50.00000 | 200.00000 |
| processed fruits: | 50.00000 | 200.00000 |
| processed vegetables: | 50.00000 | 200.00000 |
| reconstituted vegetables: | 50.00000 | 200.00000 |
| seasonings / flavors: | 50.00000 | 200.00000 |
| snack foods: | 50.00000 | 200.00000 |
| soft candy: | 50.00000 | 200.00000 |
| soups: | 50.00000 | 200.00000 |
| sugar substitutes: | 50.00000 | 200.00000 |
| sweet sauces: | 50.00000 | 200.00000 |
| |
| 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/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0): | 50.00000 | 200.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 50.00000 | 200.00000 |
| Edible ices, including sherbet and sorbet (03.0): | 50.00000 | 200.00000 |
| Processed fruit (04.1): | - | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | 50.00000 | 200.00000 |
| Chewing gum (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 50.00000 | 200.00000 |
| Bakery wares (07.0): | 50.00000 | 200.00000 |
| Meat and meat products, including poultry and game (08.0): | 50.00000 | 200.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 50.00000 | 200.00000 |
| Eggs and egg products (10.0): | 50.00000 | 200.00000 |
| Sweeteners, including honey (11.0): | 50.00000 | 200.00000 |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 50.00000 | 200.00000 |
| Foodstuffs intended for particular nutritional uses (13.0): | 50.00000 | 200.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 50.00000 | 200.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 50.00000 | 200.00000 |
| Ready-to-eat savouries (15.0): | 50.00000 | 200.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 50.00000 | 200.00000 |
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 :226311 |
| National Institute of Allergy and Infectious Diseases:Data |
| (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-(2-hydroxyethyl)hexanamide |
References:
| | (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-(2-hydroxyethyl)hexanamide |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 226311 |
| Pubchem (sid): | 80185 |
Other Information:
Potential Blenders and core components note
| For Odor |
| herbal |
black camellia sinensis leaf infusion
FL/FR |
| nutty |
2- methyl pyrazine
FL/FR |
| sulfurous |
benzothiazole
FL/FR |
| For Flavor |
| No flavor group found for these |
3,6- diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri
FL |
3-( ethyl thio) butanol
FL |
(Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazoline
FL |
(Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL |
1- phenyl-3(5)-propyl pyrazole
FL |
3-iso propenyl pentane dioic acid
FL |
|
5- acetyl-2,3-dihydro-1,4-thiazine
FL |
S- allyl-laevo-cysteine
FL |
(±)-3-( methyl thio) heptanal
FL |
3-( methyl thio) methyl thiophene
FL |
2- methyl-1-methyl thio-2-butene
FL |
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL |
| brown |
| brown |
juglans nigra shell extract
FL |
| herbal |
black camellia sinensis leaf infusion
FL/FR |
| meaty |
benzothiazole
FL/FR |
propyl 2-mercaptopropionate
FL |
| nutty |
2- butyl-2-butenal
FL |
3,5(6)- cocoa pyrazine
FL |
2- methyl pyrazine
FL/FR |
| roasted |
acer spicatum bark extract
FL |
lactoyl ethanolamine
FL |
lactoyl ethanolamine phosphate
FL |
| sulfurous |
2,4,6- trithiaheptane 10% in triacetin
FL |
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | gluconic acid ethanolamine | | N- | gluconyl ethanolamine | | N-(2- | hydroxyethyl) gluconamide | | N-(2- | hydroxyethyl) hexonamide | | N-(2- | hydroxyethyl)galactonamide | | 2,3,4,5,6- | pentahydroxy-N-(2-hydroxyethyl) hexanamide | | (2R,3S,4S,5R)-2,3,4,5,6- | pentahydroxy-N-(2-hydroxyethyl)hexanamide |
Articles:
|
