| Name: | (5-methyl-2-propan-2-ylcyclohexyl) (3S)-3-hydroxybutanoate |
| CAS Number: | 115869-76-6 |  3D/inchi
|
| FDA UNII: | Search |
| XlogP3-AA: | 3.30 (est) |
| Molecular Weight: | 242.35882000 |
| Formula: | C14 H26 O3 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| Stereoisomeric composition of (S)-form : > 80 % ee and (R)-form < 20 %.ee (ee=enatiomeric excess). |
Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.96900 to 0.97900 @ 25.00 °C.
|
| Pounds per Gallon - (est).: | 8.063 to 8.146
|
| Refractive Index: | 1.45400 to 1.46400 @ 20.00 °C.
|
| Soluble in: |
| | water, 45.17 mg/L @ 25 °C (est) |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). |
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 | |
| |
| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
|
Not determined
|
| Dermal Toxicity: |
|
Not determined
|
| Inhalation Toxicity: |
|
Not determined
|
Safety in Use Information:
| Category: | | flavoring agents |
| Recommendation for laevo-menthyl (S)-3-hydroxybutyrate usage levels up to: | | | not for fragrance use.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 37.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 10600 (μg/person/day) |
| Threshold of Concern: | 1800 (μg/person/day) |
| Structure Class: | I |
| |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). |
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. |
| | average usage mg/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0): | 30.00000 | 150.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 |
| Processed fruit (04.1): | 20.00000 | 100.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | 50.00000 | 200.00000 |
| Chewing gum (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 20.00000 |
| Bakery wares (07.0): | 20.00000 | 100.00000 |
| Meat and meat products, including poultry and game (08.0): | - | - |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - |
| Eggs and egg products (10.0): | - | - |
| Sweeteners, including honey (11.0): | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 10.00000 | 30.00000 |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 10.00000 | 50.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 |
| Ready-to-eat savouries (15.0): | 30.00000 | 150.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 10.00000 | 30.00000 |
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
|
European Food Safety Authority (EFSA) reference(s):
|
Scientific Opinion on Flavouring Group Evaluation 9, Revision 3 (FGE.09Rev3): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 9, Revision 4 (FGE.09Rev4): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 9, Revision 5 (FGE.09Rev5): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 9, Revision 6 (FGE.09Rev6): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf
|
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :54486056 |
| National Institute of Allergy and Infectious Diseases:Data |
| (5-methyl-2-propan-2-ylcyclohexyl) (3S)-3-hydroxybutanoate |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| L- | menthyl (S)-3-hydroxybutanoate | | laevo- | menthyl (S)-3-hydroxybutanoate | | L- | menthyl (S)-3-hydroxybutyrate | | (5- | methyl-2-propan-2-ylcyclohexyl) (3S)-3-hydroxybutanoate |
Articles:
|
