allyl acetone
hex-5-en-2-one
Identification
| Name | allyl acetone |
| IUPAC | hex-5-en-2-one |
| CAS Number | 109-49-9 |
| EINECS | 203-675-1 |
| FDA UNII | XWM6RL9YEI |
| Molecular Formula | C6 H10 O |
| Molecular Weight | 98.14490000 |
| MDL Number | MFCD00008793 |
| Nikkaji Number | J1.503B |
| Beilstein | 1699137 |
| XlogP3 | 1.00 (est) |
Regulatory
| DG SANTE Food Flavourings | 07.162 hex-5-en-2-one |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.83900 to 0.84500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.981 to 7.031 |
| Refractive Index | 1.41800 to 1.42400 @ 20.00 °C. |
| Boiling Point | 128.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 21.300000 mmHg @ 25.00 °C. |
| Flash Point | 75.00 °F. TCC ( 23.89 °C. ) |
| logP (o/w) | 1.020 |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| 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 and cosmetic fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| IFRA Purity Specification | < 0.1% free allyl alcohol |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.049 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 1600 (μg/person/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| Dairy products, excluding products of category 02.0 (01.0) | 3.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 2.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 3.00000 |
| Processed fruit (04.1) | 2.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 4.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 2.00000 |
| Bakery wares (07.0) | 5.00000 |
| Meat and meat products, including poultry and game (08.0) | 1.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 1.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 2.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 3.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 2.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 4.00000 |
| Ready-to-eat savouries (15.0) | 5.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 2.00000 |
Endeavour Specialty Chemicals Ltd
Expertise in high impact aroma chemicals
Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale.
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Robinson Brothers Limited
Providing Excellence in Chemistry
Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals.
Tianjin Danjun International Trade Co., LTD.
Quality Products
We know the Chinese chemical market well.
R C Treatt and Co Ltd
Innovative ingredient solutions
World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.
Potential Uses
Natural Occurrence
Synonyms
allyl acetone
allyl acetone (5-hexen-2-one)
allylacetone
3-
buten-1-yl methyl ketone
hex-5-en-2-one
5-
hexen-2-one
1-
hexen-5-one
5-
hexene-2-one
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