EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

mercaptoacetaldehyde
acetaldehyde, 2-mercapto-

Supplier Sponsors

Name:2-sulfanylacetaldehyde
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 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
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
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
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/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 (05.3): --
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
 
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
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
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
 

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.
 
Notes:
Flavouring compound [Flavornet]
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