coconut naphthalenone
7-methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone
Identification
| Name | coconut naphthalenone |
| IUPAC | 7-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one |
| CAS Number | 34545-88-5 |
| EINECS | 252-079-8 |
| FDA UNII | 4TIV4S045F |
| Molecular Formula | C11 H14 O |
| Molecular Weight | 162.23178000 |
| Nikkaji Number | J250.912A |
| CoE Number | 7136 |
Regulatory
| JECFA Food Flavoring | 1405 7-methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone |
| DG SANTE Food Flavourings | 07.136 4,4a,5,6-tetrahydro-7-methylnaphthalen-2(3H)-one |
| FEMA Number | 3715 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 34545-88-5 ; 7-METHYL-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENONE |
Physical Properties
| Appearance | white crystalline powder (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 36.00 to 37.00 °C. @ 760.00 mm Hg |
| Boiling Point | 305.00 to 306.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point | 250.00 °F. TCC ( 121.11 °C. ) |
| logP (o/w) | 2.220 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
Organoleptic Properties
| Odor Description | at 10.00 % in dipropylene glycol. |
Safety Information
| 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for coconut naphthalenone usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.04 (μg/capita/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| 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 | - |
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Potential Uses
Natural Occurrence
Synonyms
kumarone (IFF)
7-
methyl-4,4a-5,6-tetrahydro-2(3H)naphalenone
7-
methyl-4,4a,5,6-tetrahydro-2(3,4)naphthalenone
7-
methyl-4,4a,5,6-tetrahydro-2(3H)-naphalenone
7-
methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone
7-
methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
7-
methyl-4,4a,5,6-tetrahydronaphthalen-2(3H)-one
2(3H)-
naphthalenone, 4,4a,5,6-tetrahydro-7-methyl-
4,4a,5,6-
tetrahydro-7-methyl naphthalene-2(3H)-one
4,4a,5,6-
tetrahydro-7-methyl-2(3H)-naphthalenone
4,4a,5,6-
tetrahydro-7-methylnaphthalen-2(3H)-one
4,4a,5,6-
tetrahydro-7-methylnaphthalene-2(3H)-one
Google Patents:
Process for preparing 4,4A,5,6-tetrahydro-7-methyl-2-(3H)-naphthalenone, intermediates used in said process and novel crystalline form of same
US Patents:
Flavoring foodstuffs and chewing gums with 4,4A,5,6-tetrahydro-7-methyl-2-(3H)-naphthalenone
US Patents:
Mixture of 4,4A,5,6-tetrahydro-7-methyl-2-(3H)-naphthalenone and benzodioxanones and use thereof in augmenting or enhancing the aroma or taste of consumable materials