isoquinoline
benzo(c)pyridine
Identification
| Name | isoquinoline |
| IUPAC | isoquinoline |
| CAS Number | 119-65-3 |
| EINECS | 204-341-8 |
| FDA UNII | JGX76Y85M6 |
| Molecular Formula | C9 H7 N |
| Molecular Weight | 129.16179000 |
| MDL Number | MFCD00006898 |
| Nikkaji Number | J43.394B |
| Beilstein | 0107549 |
| CoE Number | 487 |
| XlogP3 | 2.10 (est) |
Regulatory
| JECFA Food Flavoring | 1303 isoquinoline |
| DG SANTE Food Flavourings | 14.001 isoquinoline |
| FEMA Number | 2978 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 119-65-3 ; ISOQUINOLINE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless crystals (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.09700 to 1.10300 @ 25.00 °C. |
| Pounds per Gallon - (est). | 9.128 to 9.178 |
| Refractive Index | 1.62100 to 1.62700 @ 20.00 °C. |
| Melting Point | 27.00 to 29.00 °C. @ 760.00 mm Hg |
| Boiling Point | 242.00 to 243.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.051000 mmHg @ 25.00 °C. (est) |
| Flash Point | 225.00 °F. TCC ( 107.22 °C. ) |
| logP (o/w) | 2.080 |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in triacetin. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 360 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 590 ul/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents and adjuvants |
| Recommendation for isoquinoline 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) | 0.07 (μg/capita/day) |
| Structure Class | III |
| baked goods | 0.00400 |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| 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 | - |
| Dairy products, excluding products of category 02.0 (01.0) | - |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | - |
| Edible ices, including sherbet and sorbet (03.0) | - |
| Processed fruit (04.1) | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 0.02500 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | - |
| Bakery wares (07.0) | 0.25000 |
| Meat and meat products, including poultry and game (08.0) | - |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | - |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | - |
| Foodstuffs intended for particular nutritional uses (13.0) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.09000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | - |
| Ready-to-eat savouries (15.0) | - |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | - |
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Potential Uses
Natural Occurrence
Synonyms
2-
benzazine
benzo(c)pyridine
3,4-
benzopyridine
leucoline
2-aza
naphthalene
beta-
quinoline
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