| Name: | 2-methyl-2-sulfanylpentan-1-ol |
| CAS Number: | 258823-39-1 |  3D/inchi
|
| FDA UNII: | 600J834MPF |
| XlogP3-AA: | 1.30 (est) |
| Molecular Weight: | 134.24178000 |
| Formula: | C6 H14 O S |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| Racemate. According to JECFA: The racemate was used in the toxicological evaluation.
CASrn is considered to cover the stereoisomeric composition as racemate. |
Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 99.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.96800 to 0.97400 @ 20.00 °C.
|
| Pounds per Gallon - (est).: | 8.064 to 8.114
|
| Refractive Index: | 1.47600 to 1.48300 @ 20.00 °C.
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| Boiling Point: | 57.00 to 59.00 °C. @ 0.60 mm Hg
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| Boiling Point: | 192.00 to 194.00 °C. @ 760.00 mm Hg
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| Acid Value: | 1.00 max. KOH/g
|
| Vapor Pressure: | 0.119000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 160.00 °F. TCC ( 71.11 °C. )
|
| logP (o/w): | 1.530 (est) |
| Soluble in: |
| | alcohol | | | water, slightly | | | water, 3409 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: sulfurous |
| Odor Description:at 0.10 % in propylene glycol. sulfurous |
| 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 2-mercapto-2-methyl-1-pentanol usage levels up to: | | | not for fragrance use.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 2.40 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 4.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 2.4 (μg/person/day) |
| NOEL (No Observed Effect Level): | 0.7 (mg/kg bw per day) |
| Threshold of Concern: | 90 (μg/person/day) |
| Structure Class: | III |
| 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: 20 |
| Click here to view publication 20 |
| | average usual ppm | average maximum ppm |
| baked goods: | 0.00500 | 0.05000 |
| beverages(nonalcoholic): | 0.00200 | 0.05000 |
| beverages(alcoholic): | 0.00200 | 0.05000 |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | 0.01000 | 0.20000 |
| condiments / relishes: | 0.01000 | 0.20000 |
| confectionery froastings: | 0.00500 | 0.05000 |
| egg products: | - | - |
| fats / oils: | 0.00500 | 0.05000 |
| fish products: | - | - |
| frozen dairy: | 0.00400 | 0.04000 |
| fruit ices: | 0.00400 | 0.04000 |
| gelatins / puddings: | 0.00400 | 0.04000 |
| granulated sugar: | - | - |
| gravies: | 0.01000 | 0.10000 |
| hard candy: | 0.00500 | 0.10000 |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | - |
| meat products: | 0.01000 | 0.10000 |
| milk products: | - | - |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | - | - |
| snack foods: | - | - |
| soft candy: | 0.00500 | 0.10000 |
| soups: | 0.00400 | 0.10000 |
| 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): | 0.00400 | 0.04000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.00500 | 0.05000 |
| Edible ices, including sherbet and sorbet (03.0): | 0.00400 | 0.04000 |
| Processed fruit (04.1): | - | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | 0.00500 | 0.10000 |
| Chewing gum (05.3): | 0.01000 | 0.20000 |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.00400 | 0.04000 |
| Bakery wares (07.0): | 0.00500 | 0.05000 |
| Meat and meat products, including poultry and game (08.0): | 0.01000 | 0.10000 |
| 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): | 0.01000 | 0.20000 |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.00200 | 0.05000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.00200 | 0.05000 |
| 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...
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European Food Safety Authority (EFSA) reference(s):
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Flavouring Group Evaluation 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008)
View page or View pdf
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Scientific Opinion on Flavouring Group Evaluation 74, Revision 1 (FGE.74Rev1): Consideration of Simple Aliphatic Sulphides and Thiols evaluated by the JECFA (53rd and 61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf
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Scientific Opinion on Flavouring Group Evaluation 74, Revision 2 (FGE.74Rev2): Consideration of Simple Aliphatic Sulphides and Thiols evaluated by the JECFA (53rd and 61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf
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Statement on List of Representative Substances for Testing.
The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000).
View page or View pdf
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EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf
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Scientific Opinion on Flavouring Group Evaluation 74, Revision 4 (FGE.74Rev4): Consideration of aliphatic sulphides and thiols evaluated by JECFA (53rd and 61st meeting) structurally related to aliphatic and alicyclic mono-, di-, tri- and polysulphides with or without additional oxygenated functional groups from chemical group 20 evaluated by EFSA in FGE.08Rev5
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,ß-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5
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):258823-39-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :11240503 |
| National Institute of Allergy and Infectious Diseases:Data |
| 2-methyl-2-sulfanylpentan-1-ol |
| Chemidplus:0258823391 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| (±)-2- | mercapto-2-methyl pentan-1-ol | | (+/-)-2- | mercapto-2-methylpentan-1-ol | | 2- | methyl-2-sulfanylpentan-1-ol | | 1- | pentanol, 2-mercapto-2-methyl- |
Articles:
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