vanillylidene acetone
3-methoxy-4-hydroxybenzalacetone
Identification
| Name | vanillylidene acetone |
| IUPAC | (E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one |
| CAS Number | 1080-12-2 |
| EINECS | 214-096-9 |
| FDA UNII | 8CJX5I27B7 |
| Molecular Formula | C11 H12 O3 |
| Molecular Weight | 192.21424000 |
| MDL Number | MFCD00012210 |
| Nikkaji Number | J136.532K |
| Beilstein | 2049660 |
| CoE Number | 691 |
| XlogP3 | 1.70 (est) |
Regulatory
| JECFA Food Flavoring | 732 vanillylidene acetone |
| DG SANTE Food Flavourings | 07.046 vanillylidene acetone |
| FEMA Number | 3738 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 1080-12-2 ; VANILLYLIDENE ACETONE |
Physical Properties
| Appearance | yellow powder (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 129.00 to 130.00 °C. @ 760.00 mm Hg |
| Boiling Point | 344.00 to 345.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.000025 mmHg @ 25.00 °C. (est) |
| Flash Point | 278.00 °F. TCC ( 136.67 °C. ) |
| logP (o/w) | 1.401 (est) |
| Soluble in | alcohol |
Organoleptic Properties
| Odor Description |
at 100.00 %. Sweet, powdery vanilla with creamy balsamic nuances
|
| Taste Description | at 200.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 > 1000 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for vanillylidene acetone usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.10 (μg/capita/day) |
| Structure Class | I |
| baked goods | - |
| 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) | 3.76000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.10000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.55000 |
| Processed fruit (04.1) | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 6.06500 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 30.00000 |
| Bakery wares (07.0) | 4.12500 |
| Meat and meat products, including poultry and game (08.0) | 6.88500 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 10.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.40000 |
| Foodstuffs intended for particular nutritional uses (13.0) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 1.48500 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 1.00000 |
| 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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Synerzine, Inc.
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Potential Uses
Natural Occurrence
Synonyms
3-
buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-
3-
buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-, (3E)-
dehydrozingerone
feruloyl methane
feruloylmethane
(E)-4-(4-
hydroxy-3-methoxy-phenyl)-but-3-en-2-one
4-
hydroxy-3-methoxybenzylidene acetone
4-
hydroxy-3-methoxybenzylideneacetone
4-(4-
hydroxy-3-methoxyphenyl)-3-buten-2-one
(3E)-4-(4-
hydroxy-3-methoxyphenyl)but-3-en-2-one
(E)-4-(4-
hydroxy-3-methoxyphenyl)but-3-en-2-one
4-(4-
hydroxy-3-methoxyphenyl)but-3-en-2-one
4-
hydroxy-3-methoxystyryl methyl ketone
3-
methoxy-4-hydroxybenzalacetone
methyl-3-methoxy-4-hydroxy styryl ketone
methyl-3-methoxy-4-hydroxystyryl ketone
MHSK
vanillalacetone
vanillidene acetone
vanillylidenacetone
vanillylideneacetone
vanylidenacetone
PubMed:
Oxidative metabolites of curcumin poison human type II topoisomerases.
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Autoxidative and cyclooxygenase-2 catalyzed transformation of the dietary chemopreventive agent curcumin.
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Biological activities of curcumin and its analogues (Congeners) made by man and Mother Nature.