| Name: | 4-methyl-7-propan-2-yloxepan-2-one |
| CAS Number: | 499-54-7 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 207-882-8 |
| FDA UNII: | 30YQY8O31P |
| Nikkaji Web: | J182.248I |
| Beilstein Number: | 81481 |
| CoE Number: | 11833 |
| XlogP3-AA: | 2.70 (est) |
| Molecular Weight: | 170.25186000 |
| Formula: | C10 H18 O2 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| JECFA evaluated 6-hydroxy-3,7-dimethyloctanoic acid lactone (CASrn as in Register). (R)- or (S)-enantiomer not specified by Register CASrn.
At least 90%; secondary component 5-6% 6-hydroxy-3,7-dimethyl-2-octenoic acid lactone. (JECFA) |
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless solid (est) |
| Assay: | 62.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.96600 to 0.97300 @ 25.00 °C.
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| Pounds per Gallon - (est).: | 8.038 to 8.096
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| Refractive Index: | 1.45700 to 1.46100 @ 20.00 °C.
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| Boiling Point: | 247.00 to 248.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.024000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 205.00 °F. TCC ( 96.11 °C. )
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| logP (o/w): | 2.357 (est) |
| Soluble in: |
| | alcohol | | | water | | | water, 525.8 mg/L @ 25 °C (est) |
Organoleptic Properties:
Cosmetic Information:
Suppliers:
Safety Information:
| |
| Hazards identification |
| |
| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
| |
| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
gavage-rat LD50 [sex: M,F] > 5000 mg/kg
(Lewis & Palanker, 1979a)
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
|
Not determined
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Safety in Use Information:
| Category: | | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment: Search |
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
| Recommendation for menthone lactone usage levels up to: | | | 1.0000 % in the fragrance concentrate.
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| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) |
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library |
| publication number: 6 |
| Click here to view publication 6 |
| | average usual ppm | average maximum ppm |
| baked goods: | - | 500.00000 |
| beverages(nonalcoholic): | - | 300.00000 |
| beverages(alcoholic): | - | - |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | - | - |
| condiments / relishes: | - | - |
| confectionery froastings: | - | - |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | - | 200.00000 |
| fruit ices: | - | 200.00000 |
| gelatins / puddings: | - | 500.00000 |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | - | 200.00000 |
| 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: | - | - |
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
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European Food Safety Authority (EFSA) reference(s):
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Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
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Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf
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Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf
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| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):499-54-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62349 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 4-methyl-7-propan-2-yloxepan-2-one |
| Chemidplus:0000499547 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 3,7- | dimethyl octano-1,6-lactone | | 3,7- | dimethyl-6-octanolide | | 3,7- | dimethyloctano-1,6-lactone | | 6- | hydroxy-3,7-dimethyl caprylic acid epsilon-lactone | | 6- | hydroxy-3,7-dimethyl octanoic acid lactone | | 6- | hydroxy-3,7-dimethyloctanoic acid lactone | | | menthone lactone | | 3- | methyl-6-isopropyl-6-hexanolide | | 4- | methyl-7-(1-methyl ethyl)-2-oxepanone | | 4- | methyl-7-(1-methylethyl)-2-oxepanone | | 4- | methyl-7-(1-methylethyl)oxepan-2-one | | 4- | methyl-7-(propan-2-yl)oxepan-2-one | | 4- | methyl-7-isopropyl-2-oxepanone | | 4- | methyl-7-propan-2-yloxepan-2-one | | 2- | oxepanone, 4-methyl-7-(1-methylethyl)- | | iso | propyl methyl oxepanone | | 7-iso | propyl-4-methyl oxepan-2-one | | 7-iso | propyl-4-methyloxepan-2-one |
Articles:
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