4-acetyl pyridine
1-pyridin-4-ylethanone
Identification
| Name | 4-acetyl pyridine |
| IUPAC | 1-pyridin-4-ylethanone |
| CAS Number | 1122-54-9 |
| EINECS | 214-350-9 |
| FDA UNII | G47437IOW7 |
| Molecular Formula | C7 H7 N O |
| Molecular Weight | 121.13899000 |
| MDL Number | MFCD00006433 |
| Nikkaji Number | J41.571E |
| Beilstein | 0107629 |
| XlogP3 | 0.50 (est) |
Regulatory
| DG SANTE Food Flavourings | 14.089 4-acetylpyridine |
Physical Properties
| Appearance | pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.09800 to 1.10400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 9.136 to 9.186 |
| Refractive Index | 1.52000 to 1.52600 @ 20.00 °C. |
| Melting Point | 15.00 to 16.00 °C. @ 760.00 mm Hg |
| Boiling Point | 212.00 to 213.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.170000 mmHg @ 25.00 °C. (est) |
| Flash Point | 188.00 °F. TCC ( 86.67 °C. ) |
| logP (o/w) | 0.480 |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Taste Description | burnt coffee |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LD50 1400 mg/kg |
| 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-acetyl pyridine usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.0073 (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-
acetylpyridine
ethanone, 1- (4-pyridinyl)-
ethanone, 1-(4-pyridinyl)-
ketone, methyl 4-pyridyl
methyl 4-pyridyl ketone
1-(
pyridin-4-yl)ethan-1-one
1-(
pyridin-4-yl)ethanone
1-
pyridin-4-ylethanone
pyridine, 4-acetyl-
1-(4-
pyridinyl) ethanone
1-(4-
pyridinyl)ethanone
4-
pyridyl methyl ketone
US Patents:
3,952,024 - Furfurylthioacetone
PubMed:
Hydrogen-bonded assemblies of 20-(4-pyridyl)porphyrin-5(4),10(4),15(4)-tribenzoic acid with dimethyl sulfoxide and 4-acetylpyridine in their dimethyl sulfoxide and tetrahydrofuran solvates.
US Patents:
3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines
PubMed:
Mono- and dinuclear tricarbonyltechnetium(I) complexes with thiosemicarbazones.
PubMed:
Detection of induced mitotic chromosome loss in Saccharomyces cerevisiae--an interlaboratory study.
PubMed:
Effects of 4-acetylpyridine on stress ulcer formation in mice.