mercaptoacetaldehyde
acetaldehyde, 2-mercapto-
 
Notes:
Flavouring compound [Flavornet]
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      Product(s):
      4124-63-4 Mercaptoacetaldehyde 95%
       
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CAS Number: 4124-63-4Picture of molecule3D/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
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Perfumer and Flavorist: Search
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Pubchem Patents: Search
PubMed: Search
NCBI: Search
DG SANTE Food Flavourings: 12.205  mercaptoacetaldehyde
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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
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Organoleptic Properties:
 
Odor Type: cabbage
 
 cabbage  
Odor Description:
at 0.10 % in propylene glycol. 
cabbage
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Mercaptoacetaldehyde 95%
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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
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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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.400002.00000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 0.400002.00000
Meat and meat products, including poultry and game (08.0): 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.40000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0): 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.400002.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
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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
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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
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References:
 2-sulfanylacetaldehyde
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 77775
Pubchem (sid): 135035088
Flavornet: 4124-63-4
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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
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Potential Blenders and core components note
 
For Odor
alliaceous
 propyl mercaptanFL/FR
coffee
 coffee difuranFL/FR
earthy
1-octen-3-oneFL/FR
sulfurous
 dimethyl disulfideFL/FR
 methyl mercaptanFL/FR
S-tropical 2-thiobutyrateFL/FR
 
For Flavor
 
No flavor group found for these
3-hydroxypyruvic acidFL
 methionyl acetateFL
S-methyl benzothioateFL
4-(methyl thio) butanolFL
S-(methyl thio) hexanoateFL
2-(methyl thio) methyl-2-butenalFL
2-methyl-5-methoxythiazoleFL
isopropyl disulfideFL
S-tropical 2-thiobutyrateFL/FR
alliaceous
 propyl mercaptanFL/FR
 truffle sulfideFL
coffee
 coffee difuranFL/FR
earthy
1-octen-3-oneFL/FR
meaty
 pyrazinyl ethane thiolFL
mushroom
 methional diethyl acetalFL
sulfurous
 dimethyl disulfideFL/FR
 ethyl methyl sulfideFL
 methyl 4-(methyl thio) butyrateFL
 methyl benzyl disulfideFL
 methyl mercaptanFL/FR
 methyl thioacetateFL
vegetable
 potato butyraldehydeFL
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 acetaldehyde, 2-mercapto-
2-sulfanyl acetaldehyde
2-sulfanylacetaldehyde
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Articles:
PubMed: [3+3] Annulation of donor-acceptor cyclopropanes with mercaptoacetaldehyde: application to the synthesis of tetrasubstituted thiophenes.
PubMed: Organocatalytic cascade sulfa-Michael/aldol reaction of β,β-disubstituted enones: enantioselective synthesis of tetrahydrothiophenes with a trifluoromethylated quaternary center.
PubMed: Investigation of the aroma-active compounds formed in the maillard reaction between glutathione and reducing sugars.
PubMed: Delineation of the intimate details of the backbone conformation of pyridine nucleotide coenzymes in aqueous solution.
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