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

3-mercapto-2-methyl pentanal
3-mercapto-2-methylpentanal

Sponsors

Name:2-methyl-3-sulfanylpentanal
CAS Number: 227456-28-2Picture of molecule3D/inchi
FDA UNII:04LG18GGDN
Nikkaji Web:J1.340.023G
MDL:MFCD12911412
XlogP3-AA:1.50 (est)
Molecular Weight:132.22584000
Formula:C6 H12 O S
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate. Mixture of four diastereoisomers, each about 25 % (EFFA, 2014).
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
JECFA Food Flavoring:1292 3-mercapto-2-methylpentanal
FLAVIS Number:12.239 (Old)
DG SANTE Food Flavourings:12.239 3-mercapto-2-methylpentanal
FEMA Number:3994 3-mercapto-2-methylpentanal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-MERCAPTO-2-METHYLPENTANAL
 
Physical Properties:
Appearance:colorless to yellow clear viscous liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.09500 to 1.10300 @ 25.00 °C.
Pounds per Gallon - (est).: 9.111 to 9.178
Refractive Index:1.52300 to 1.52900 @ 20.00 °C.
Boiling Point: 98.00 to 100.00 °C. @ 10.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.980000 mm/Hg @ 25.00 °C. (est)
Flash Point: 143.00 °F. TCC ( 61.67 °C. )
logP (o/w): 1.673 (est)
Soluble in:
 alcohol
 water, 3912 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous onion
Odor Description:at 0.10 % in propylene glycol. sulfurous onion
sulfurous savory grilled roasted beefy cooked chicken alliaceous garlic fruit tropical fruit dairy
Odor Description:at 0.10 %. sulfurous, , savory grilled or roasted beef and cooked chicken like, alliaceous, garlic with tropical fruit and cultured dairy nuances
Mosciano, Gerard, (2009)
Flavor Type: sulfurous
sulfurous alliaceous roasted savory cooked onion garlic fruit tropical fruit mango passion fruit
Taste Description: at 1.00 ppm. Sulfureous, alliaceous, roasted savory with cooked onion and sauteed garlic notes and tropical fruit nuances of mango and passionfruit
Mosciano, Gerard, (2009)
Odor and/or flavor descriptions from others (if found).
Firmenich
Mercaptovert™ Nat Kosher, Halal
Taste Description:Very powerful meaty, brothy, tropical, grapefruit (highly diluted) notes
MERCAPTOVERT™ is a powerful combination of Mercaptomethylpentanal and green notes. It brings meaty and gravy profile to savory applications. It’s unique tropical sulfury nuance nicely complements grapefruit top notes.
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
3-Mercapto-2-methylpentanal
BOC Sciences
For experimental / research use only.
3-Mercapto-2-methylpentanal
DeLong Chemicals America
3-Mercapto-2-methylpentanal
Ernesto Ventós
MERCAPTOVERT NATURAL FIRMENICH 958080
Odor: MEATY, BROTHY,TROPICAL,GRAPEFRUIT
Firmenich
Mercaptovert™ Nat
Kosher, Halal
Flavor: Very powerful meaty, brothy, tropical, grapefruit (highly diluted) notes
MERCAPTOVERT™ is a powerful combination of Mercaptomethylpentanal and green notes. It brings meaty and gravy profile to savory applications. It’s unique tropical sulfury nuance nicely complements grapefruit top notes.
Penta International
3-MERCAPTO-2-METHYLPENTANAL, Kosher
 
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 3-mercapto-2-methyl pentanal usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.02 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 4.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 348 (μg/person/day)
NOEL (No Observed Effect Level): 0.7 (mg/kg bw per 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: 20
 average usual ppmaverage maximum ppm
baked goods: 0.050000.50000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 0.030003.00000
cheese: --
chewing gum: --
condiments / relishes: 0.030000.30000
confectionery froastings: --
egg products: --
fats / oils: 0.050000.50000
fish products: 0.010000.10000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.050000.50000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.030000.30000
milk products: --
nut products: --
other grains: 0.010000.10000
poultry: --
processed fruits: --
processed vegetables: 0.010000.10000
reconstituted vegetables: --
seasonings / flavors: 0.030001.00000
snack foods: 0.010000.10000
soft candy: --
soups: 0.030000.30000
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.600002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.040001.00000
Edible ices, including sherbet and sorbet (03.0): 0.500002.00000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.200001.50000
Confectionery (05.0): 0.750002.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.620001.00000
Bakery wares (07.0): 0.800002.00000
Meat and meat products, including poultry and game (08.0): 0.730001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100001.00000
Eggs and egg products (10.0): 0.080001.00000
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.450001.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.500001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.100002.00000
Ready-to-eat savouries (15.0): 1.100005.00000
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):

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

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

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

EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf

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

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :527435
National Institute of Allergy and Infectious Diseases:Data
2-methyl-3-sulfanylpentanal
Chemidplus:0227456282
 
References:
 2-methyl-3-sulfanylpentanal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):527435
Pubchem (sid):10544245
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB35176
FooDB:FDB013816
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alliaceous
dibutyl sulfide
FL/FR
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
methyl furfuryl disulfide
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
buchu mercaptan
FL/FR
ethyl 2-mercaptopropionate
FL/FR
ethyl methyl mercaptopropionate
FL/FR
furfuryl thioacetate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
methyl mercaptan
FL/FR
onion oil
FL/FR
For Flavor
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
cyclopentyl mercaptan
FL
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
dipropyl trisulfide
FL
ferula assa-foetida gum oil
FL/FR
3-
mercapto-2-pentanone
FL
2-
methyl thioacetaldehyde
FL
shallot oil
FL
3-
tetrahydrothiophenone
FL
truffle sulfide
FL
coffee
methyl furfuryl disulfide
FL/FR
garlic
allyl methyl sulfide
FL
green
dibutyl sulfide
FL/FR
meaty
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
bis(2-
methyl-3-furyl) disulfide
FL
2-
methyl-3-tetrahydrofuran thiol
FL
2-
pyridinyl methane thiol
FL
ortho-
thiocresol
FL
musty
ethyl (E)-2-crotonate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
onion
ethyl 2-mercaptopropionate
FL/FR
furfuryl isopropyl sulfide
FL
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
roasted
furfuryl thioacetate
FL/FR
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
buchu mercaptan
FL/FR
butyl mercaptan
FL
ethyl methyl mercaptopropionate
FL/FR
S-
ethyl thioacetate
FL
furfuryl thiopropionate
FL
methyl mercaptan
FL/FR
onion oil
FL/FR
tropical
3-
mercaptohexyl butyrate
FL
 
Potential Uses:
FLbeef
FLbuchu leaf
FLchicken
FLdairy
FLgarlic
FLmango
FLonion
FRpassion fruit
FLtropical
 
Occurrence (nature, food, other):note
 chicken
Search PMC Picture
 meat
Search PMC Picture
 onion
Search Trop Picture
 
Synonyms:
3-mercapto-2-methyl-1-pentanal
3-mercapto-2-methylpentanal
 mercaptovert (Firmenich)
 mercaptovert natural (Firmenich)
2-methyl-3-sulfanyl pentanal
2-methyl-3-sulfanylpentanal
 pentanal, 3-mercapto-2-methyl-
 

Articles:

 None found yet.
 
Notes:
Aroma constit. of cut raw onion
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy