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Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00
|
| Additional Assay Information: | racemate |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.88800 to 0.89400 @ 25.00 °C.
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| Pounds per Gallon - (est).: | 7.389 to 7.439
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| Refractive Index: | 1.44200 to 1.44800 @ 20.00 °C.
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| Melting Point: | -10.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 189.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.582000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 137.00 °F. TCC ( 58.33 °C. )
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| logP (o/w): | 2.272 (est) |
| Soluble in: |
| | water, 724.3 mg/L @ 25 °C (est) |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
| Arkema |
| Trimethylcyclohexanone
Odor: characteristic Use: Arkema Trimethylcyclohexanone can be used as solvent, co-solvent, flow-control agent, plasticizer, thinner, or starting material for chemical syntheses, etc. |
| BOC Sciences |
| For experimental / research use only. |
| 3,3,5-Trimethylcyclohexanone
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| EMD Millipore |
| For experimental / research use only. |
| 3,3,5-Trimethylcyclohexanone
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| Penta International |
| 3,3,5-TRIMETHYLCYCLOHEXANONE
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| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 3,3,5-Trimethylcyclohexanone
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| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 3,3,5-Trimethylcyclohexanone 98%
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| TCI AMERICA |
| For experimental / research use only. |
| 3,3,5-Trimethylcyclohexanone
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| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the Chemical Sources Association |
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | Xi - Irritant |
R 37/38 - Irritating to respiratory system and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24 - Avoid contact with skin.
S 37/39 - Wear suitable gloves and eye/face protection.
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| |
| 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
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| Dermal Toxicity: |
|
Not determined
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| Inhalation Toxicity: |
inhalation-rat LC50 14200 mg/m3
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
SKIN AND APPENDAGES (SKIN): HAIR: OTHER
BEHAVIORAL: COMA
National Technical Information Service. Vol. OTS0572861
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Safety in Use Information:
| Category: | | flavoring agents |
| Recommendation for dihydroisophorone usage levels up to: | | | not for fragrance use.
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| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.0085 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1600 (μg/person/day) |
| Threshold of Concern: | 540 (μg/person/day) |
| Structure Class: | II |
| |
| 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): | 3.00000 | 15.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 2.00000 | 10.00000 |
| Edible ices, including sherbet and sorbet (03.0): | 3.00000 | 15.00000 |
| Processed fruit (04.1): | 2.00000 | 10.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | 4.00000 | 20.00000 |
| Chewing gum (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 2.00000 | 10.00000 |
| Bakery wares (07.0): | 5.00000 | 25.00000 |
| Meat and meat products, including poultry and game (08.0): | 1.00000 | 5.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 1.00000 | 5.00000 |
| Eggs and egg products (10.0): | - | - |
| Sweeteners, including honey (11.0): | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 2.00000 | 10.00000 |
| Foodstuffs intended for particular nutritional uses (13.0): | 3.00000 | 15.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 10.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 4.00000 | 20.00000 |
| Ready-to-eat savouries (15.0): | 5.00000 | 25.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 2.00000 | 10.00000 |
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 9 (FGE.09): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and an ester of a phenol carboxylic acid from chemical group 25
View page or View pdf
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Flavouring Group Evaluation 51, (FGE.51)[1] - Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) and structurally related to alicyclic ketones, secondary alcohols and related esters evaluated by EFSA in FGE.09 (2004) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
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Flavouring Group Evaluation 9, Revision 1: (FGE.09 Rev1)[1] - Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical groups 8 and 30, and an ester of a phenol carboxylic acid from chemical group 25 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
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Flavouring Group Evaluation 9, Revision 2 (FGE.09Rev2): 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
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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
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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
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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
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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
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| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):873-94-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :13398 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| 3,3,5-trimethylcyclohexan-1-one |
| Chemidplus:0000873949 |
| RTECS:GW2185000 for cas# 873-94-9 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | cyclohexanone, 3,3,5-trimethyl- | | 3,3,5- | trimethyl cyclohexan-1-one | | 3,5,5- | trimethyl cyclohexanone | | 3,3,5- | trimethylcyclohexan-1-one | | 3,3,5- | trimethylcyclohexanone | | 3,5,5- | trimethylcyclohexanone |
Articles:
| US Patents:4,457,862 - Odorant substances |
| PubMed:3,3,5-Trimethylcyclohexanols and derived esters: green synthetic procedures, odour evaluation and in vitro skin cytotoxicity assays. |
| PubMed:[Dismutation as a metabolic pathway : transformation of the trimethyl 3,5,5, cyclohexanone (author's transl)]. |
| PubMed:[Metabolic transformations of the trimethyl - 3,5,5, cyclohexene-2, one-1 (isophorone) (author's transl)]. |
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3D/inchi