| Name: | 2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethyl acetate |
| CAS Number: | 36789-59-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 253-212-2 |
| FDA UNII: | 450PNS9Q6I |
| Nikkaji Web: | J332.359E |
| XlogP3-AA: | 2.70 (est) |
| Molecular Weight: | 196.28980000 |
| Formula: | C12 H20 O2 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| JECFA evaluated campholene acetate (CASrn as in Register). CASrn in Register refers to the (S)-enantiomer.
Commercial product (S)-enantiomer (EFFA, 2010a). Synonym (-)-campholenyl acetate (EFFA, 2010a). Register name to be changed to (-)-campholenyl acetate or (S)-campholenyl acetate. (EFFA, 2010a) |
Category:flavor and fragrance 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: | 0.80200 to 0.82200 @ 20.00 °C.
|
| Pounds per Gallon - (est).: | 6.681 to 6.848
|
| Specific Gravity: | 0.94300 to 0.94900 @ 25.00 °C.
|
| Pounds per Gallon - est.: | 7.847 to 7.897
|
| Refractive Index: | 1.36000 to 1.37000 @ 20.00 °C.
|
| Refractive Index: | 1.45300 to 1.46000 @ 20.00 °C.
|
| Boiling Point: | 226.00 to 227.00 °C. @ 760.00 mm Hg
|
| Vapor Pressure: | 0.059000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 62.00 °F. TCC ( 16.67 °C. )
|
| logP (o/w): | 3.944 (est) |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | refrigerate in tightly sealed containers. |
| Soluble in: |
| | alcohol | | | water, 9.035 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: herbal |
| lavender floral berry woody |
| Odor Description:at 100.00 %. sweet fresh lavender, floral, berry note with fine woody undertone |
| Flavor Type: jammy |
| jammy raspberry fruity |
| Taste Description: jammy raspberry |
| 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: |
gavage-rat LD50 [sex: M,F] 4640 - 5270 mg/kg
The study is considered valid.
(Piccirillo et al., 1979)
gavage-rat LD50 [sex: F] 3000 mg/kg
(Piccirillo et al., 1979)
|
| Dermal Toxicity: |
|
Not determined
|
| Inhalation Toxicity: |
|
Not determined
|
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 (S)-campholene acetate usage levels up to: | | | 0.5000 % in the fragrance concentrate.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.061 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA): | ND (μg/capita/day) |
| Threshold of Concern: | 1800 (μg/person/day) |
| Structure Class: | I |
| 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: 13 |
| Click here to view publication 13 |
| | average usual ppm | average maximum ppm |
| baked goods: | - | - |
| beverages(nonalcoholic): | - | 3.00000 |
| beverages(alcoholic): | - | 3.00000 |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | - | 3.00000 |
| condiments / relishes: | - | - |
| confectionery froastings: | - | - |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | - | - |
| fruit ices: | - | - |
| gelatins / puddings: | - | 3.00000 |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | - | 3.00000 |
| 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: | - | 3.00000 |
| soups: | - | - |
| sugar substitutes: | - | - |
| sweet sauces: | - | - |
| |
| 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): | - | - |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - |
| Edible ices, including sherbet and sorbet (03.0): | - | - |
| Processed fruit (04.1): | - | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | - | - |
| Chewing gum (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | - | - |
| Bakery wares (07.0): | - | - |
| 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): | - | - |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | - | - |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | - | - |
| 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): | - | - |
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):
|
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 12 (FGE.12); Primary saturated or unsaturated alicyclic alcohol, aldehyde, and esters from chemical group 7 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
|
Primary saturated or unsaturated alicyclic alcohol, aldehyde, and esters from chemical group 7 - Flavouring Group Evaluation 12, Revision 1 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
|
Flavouring Group Evaluation 73, (FGE.73)[1] - Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohol, aldehyde and esters evaluated by EFSA in FGE.12 (2005) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 73, Revision 1 (FGE.73Rev1): Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohol, aldehyde, and esters evaluated by EFSA in FGE.12Rev2 (2011)
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 73, Revision 2 (FGE.73Rev2): Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev3 (2012)
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 73, Revision 3 (FGE.73Rev3): Consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev4 (2013)
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 73,
Revision 4 (FGE.73Rev4): consideration of alicyclic alcohols,
aldehydes, acids and related esters evaluated by JECFA
(59th and 63rd meeting) structurally related to primary
saturated or unsaturated alicyclic alcohols, aldehydes,
acids and esters evaluated by EFSA in FGE.12Rev5
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 73, Revision 5 (FGE.73Rev5): consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th, 63rd and 86th meeting) and structurally related to substances evaluated in FGE.12Rev5
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 :21149427 |
| National Institute of Allergy and Infectious Diseases:Data |
| 2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethyl acetate |
| Chemidplus:0036789590 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 3- | cyclopentene-1-ethanol, 2,2,3-trimethyl-, acetate, (S)- | | (S)- | trimenal acetate (IFF) | | (S)-2,2,3- | trimethyl cyclopent-3-ene-1-ethyl acetate | | 2-[(1S)-2,2,3- | trimethylcyclopent-3-en-1-yl]ethyl acetate | | (S)-2,2,3- | trimethylcyclopent-3-ene-1-ethyl acetate |
Articles:
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