4-isopropyl pyridine
pyridine, 4-isopropyl-
Identification
| Name | 4-isopropyl pyridine |
| IUPAC | 4-propan-2-ylpyridine |
| CAS Number | 696-30-0 |
| EINECS | 211-794-5 |
| FDA UNII | NC9488R41O |
| Molecular Formula | C8 H11 N |
| Molecular Weight | 121.18267000 |
| MDL Number | MFCD00039719 |
| Nikkaji Number | J46.543G |
| XlogP3 | 2.00 (est) |
Regulatory
| DG SANTE Food Flavourings | 14.125 4-isopropylpyridine |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.92300 to 0.92900 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.680 to 7.730 |
| Refractive Index | 1.49200 to 1.49800 @ 20.00 °C. |
| Melting Point | -54.90 °C. @ 760.00 mm Hg |
| Boiling Point | 178.00 to 180.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 1.421000 mmHg @ 25.00 °C. (est) |
| Flash Point | 152.00 °F. TCC ( 66.67 °C. ) |
| logP (o/w) | 2.330 (est) |
| Soluble in | water, 2.327e+004 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| 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 |
| Recommendation for 4-isopropyl pyridine usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 400 (μg/person/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| Dairy products, excluding products of category 02.0 (01.0) | 0.40000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.10000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.40000 |
| Processed fruit (04.1) | 0.40000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 1.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.20000 |
| Bakery wares (07.0) | 2.00000 |
| Meat and meat products, including poultry and game (08.0) | 0.20000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.20000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.10000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 0.20000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.20000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | - |
| Ready-to-eat savouries (15.0) | 1.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 0.20000 |
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Potential Uses
Natural Occurrence
Synonyms
4-(1-
methylethyl)pyridine
4-(
propan-2-yl)pyridin
4-(
propan-2-yl)pyridine
4-
propan-2-ylpyridine
4-iso
propyl-pyridine
4-iso
propylpyridine
4-iso-
propylpyridine
pyridine, 4-(1-methylethyl)-
pyridine, 4-isopropyl-
PubMed:
Blue-violet photoluminescence of 4-isopropyl-pyridine hydroxide crystals.
PubMed:
4-isopropylpyridine hydroperoxide crystals resulting from the aerobic oxidation of a 4-isopropylpyridine/4-propylpyridine mixture.
PubMed:
Polyhalogenated heterocyclic compounds. Macrocycles from perfluoro-4-isopropylpyridine.
PubMed:
A decanuclear oxomolybdenum(V,VI) cluster with 4-isopropylpyridine.