Articles:
acetaldehyde, 2-mercapto-
Notes:
Flavouring compound [Flavornet]
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| CAS Number: | 4124-63-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 223-929-5 | |
| FDA UNII: | M7I29I8T38 | |
| Nikkaji Web: | J224.935I | |
| Molecular Weight: | 76.11808000 | |
| Formula: | C2 H4 O S | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| DG SANTE Food Flavourings: | 12.205 mercaptoacetaldehyde |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.11200 to 1.11800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.253 to 9.303 |
| Refractive Index: | 1.49500 to 1.50100 @ 20.00 °C. |
| Boiling Point: | 84.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 21.417999 mmHg @ 25.00 °C. (est) |
| Flash Point: | 71.00 °F. TCC ( 21.67 °C. ) |
| logP (o/w): | 0.200 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 2.056e+005 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| para-anisyl acetaldehyde | |
| cumin acetaldehyde | |
| cuminyl acetaldehyde | |
| lilac acetaldehyde | |
| phenoxyacetaldehyde 50% in benzyl alcohol | |
| phenoxyacetaldehyde 50% in peomosa | |
| phenyl acetaldehyde | |
| pinoacetaldehyde | |
Organoleptic Properties:
| Odor Type: cabbage | |
| cabbage | |
| Odor Description: at 0.10 % in propylene glycol. | cabbage |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Mercaptoacetaldehyde 95% |
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 mercaptoacetaldehyde usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.011 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 160 (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): | 0.40000 | 2.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.20000 | 1.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.40000 | 2.00000 | |
| Processed fruit (04.1): | 0.30000 | 1.50000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 0.40000 | 2.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 1.00000 | |
| Bakery wares (07.0): | 0.40000 | 2.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.40000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.40000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.20000 | 1.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.40000 | 2.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.20000 | 1.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.40000 | 2.00000 | |
| Ready-to-eat savouries (15.0): | 1.00000 | 5.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.20000 | 1.00000 | |
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): | |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009) View page or View pdf | |
| Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 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 : | 77775 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 2-sulfanylacetaldehyde | |
| Chemidplus: | 0004124634 |
References:
| 2-sulfanylacetaldehyde | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 77775 |
| Pubchem (sid): | 135035088 |
| Flavornet: | 4124-63-4 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB029630 |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| alliaceous | ||
| propyl mercaptan | FL/FR | |
| coffee | ||
| coffee difuran | FL/FR | |
| earthy | ||
| 1- | octen-3-one | FL/FR |
| sulfurous | ||
| dimethyl disulfide | FL/FR | |
| methyl mercaptan | FL/FR | |
| S- | tropical 2-thiobutyrate | FL/FR |
| For Flavor | ||
| No flavor group found for these | ||
| 3- | hydroxypyruvic acid | FL |
| methionyl acetate | FL | |
| S- | methyl benzothioate | FL |
| 4-( | methyl thio) butanol | FL |
| S-( | methyl thio) hexanoate | FL |
| 2-( | methyl thio) methyl-2-butenal | FL |
| 2- | methyl-5-methoxythiazole | FL |
| iso | propyl disulfide | FL |
| S- | tropical 2-thiobutyrate | FL/FR |
| alliaceous | ||
| propyl mercaptan | FL/FR | |
| truffle sulfide | FL | |
| coffee | ||
| coffee difuran | FL/FR | |
| earthy | ||
| 1- | octen-3-one | FL/FR |
| meaty | ||
| pyrazinyl ethane thiol | FL | |
| mushroom | ||
| methional diethyl acetal | FL | |
| sulfurous | ||
| dimethyl disulfide | FL/FR | |
| ethyl methyl sulfide | FL | |
| methyl 4-(methyl thio) butyrate | FL | |
| methyl benzyl disulfide | FL | |
| methyl mercaptan | FL/FR | |
| methyl thioacetate | FL | |
| vegetable | ||
| potato butyraldehyde | FL | |
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| acetaldehyde, 2-mercapto- | |
| 2- | sulfanyl acetaldehyde |
| 2- | sulfanylacetaldehyde |