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

3-(methyl thio) hexanal
3-methylthiohexanal

Supplier Sponsors

Name:3-methylsulfanylhexanal
CAS Number: 38433-74-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:253-929-0
FDA UNII: 1U9V3213BJ
Nikkaji Web:J294.659I
MDL:MFCD08457878
XlogP3-AA:1.60 (est)
Molecular Weight:146.25278000
Formula:C7 H14 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
JECFA Food Flavoring:469 3-methylthiohexanal
DG SANTE Food Flavourings:12.279 3-methylthiohexanal
FEMA Number:3877 3-methylthiohexanal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):38433-74-8 ; 3-METHYLTHIOHEXENAL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96700 to 0.96800 @ 25.00 °C.
Pounds per Gallon - (est).: 8.046 to 8.055
Refractive Index:1.47500 to 1.48500 @ 20.00 °C.
Boiling Point: 206.00 to 207.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.239000 mmHg @ 25.00 °C. (est)
Flash Point: 161.00 °F. TCC ( 71.67 °C. )
logP (o/w): 2.117 (est)
Soluble in:
 alcohol
 heptane
 triacetin
 water, 2235 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: buttery
buttery green grassy privet fatty
Odor Description:at 0.10 % in dipropylene glycol. butter green grassy privet
Odor and/or flavor descriptions from others (if found).
R C Treatt & Co Ltd
3-Methylthiohexanal Halal, Kosher
Odor Description:strongly green; privet-like
Taste Description:green
Useful in tropical fruit flavours, vegetable (e.g. tomato), savoury, coffee and meat flavours.
 
Cosmetic Information:
None found
 
Suppliers:
Axxence Aromatic
3-METHYLTHIO HEXANAL Natural, Kosher
Sustainability
BOC Sciences
For experimental / research use only.
3-(Methylthio)hexanal
Endeavour Specialty Chemicals
3-(Methylthio)hexanal
Speciality Chemical Product Groups
Excellentia International
3-Methyl Thio Hexanal Natural
Lluch Essence
3-METHYLTHIO HEXANAL NATURAL 96%
Odor: FATTY, BUTTERY
Penta International
3-METHYLTHIOHEXANAL
R C Treatt & Co Ltd
3-Methylthiohexanal
Halal, Kosher
Odor: strongly green; privet-like
Flavor: green
Useful in tropical fruit flavours, vegetable (e.g. tomato), savoury, coffee and meat flavours.
Robinson Brothers
3-(Methylthio)hexanal
https://www.robinsonbrothers.uk/chemistry-competences
Taytonn ASCC
3-(Methylthio) Hexanal
Odor: Buttery, Grass, Green
Tengzhou Jitian Aroma Chemiclal
3-Methylthio hexanal
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
 
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-(methyl thio) hexanal usage levels up to:
 not for fragrance use.
 
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: 18
Click here to view publication 18
 average usual ppmaverage maximum ppm
baked goods: 0.500001.00000
beverages(nonalcoholic): 0.050000.10000
beverages(alcoholic): 0.500001.00000
breakfast cereal: --
cheese: --
chewing gum: 1.000005.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 0.500001.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.500002.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 1.000003.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 0.500001.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
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 :3015979
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-methylsulfanylhexanal
Chemidplus:0038433748
 
References:
 3-methylsulfanylhexanal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):3015979
Pubchem (sid):135213128
Pherobase:View
 
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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB40186
FooDB:FDB019898
Export Tariff Code:2912.19.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:3-Methylthiohexanal
 
Potential Blenders and core components note
For Odor
acidic
iso
butyric acid
FL/FR
alliaceous
dibutyl sulfide
FL/FR
balsamic
cinnamyl benzoate
FL/FR
bready
coffee furanone
FL/FR
buttery
acetoin
FL/FR
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
butyl octanoate
FL/FR
2,3-
heptane dione
FL/FR
3,4-
hexane dione
FL/FR
caramellic
alpha,alpha-
dimethyl anisyl acetone
FL/FR
cheesy
butyric acid
FL/FR
citrus
lemongrass oil
FL/FR
litsea cubeba fruit oil
FL/FR
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
coffee
1-
hydroxy-2-butanone
FL/FR
creamy
waxy lactone
FL/FR
fatty
butyl undecylenate
FL/FR
floral
benzyl lactate
FL/FR
jasmin pyranone
FL/FR
linalyl butyrate
FL/FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
mimosa absolute morocco
FL/FR
fruity
acetoin acetate
FL/FR
butyl 2-methyl butyrate
FL/FR
gamma-
decalactone
FL/FR
ethyl lactate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
2-
methyl-2-pentenal
FL/FR
prenyl ethyl ether
FL/FR
prenyl isobutyrate
FL/FR
green
alfalfa oil
FL/FR
alfalfa resinoid
FL/FR
butyl heptanoate
FL/FR
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
3-
hepten-2-one
FL/FR
(Z)-4-
heptenal
FL/FR
heptyl heptanoate
FL/FR
hexanal dihexyl acetal
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexenal
FL/FR
hexyl butyrate
FL/FR
hexyl hexanoate
FL/FR
lilac acetaldehyde
FL/FR
propylene acetal
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
minty
iso
pulegol
FL/FR
(-)-iso
pulegol
FL/FR
mushroom
1-
octen-3-yl butyrate
FL/FR
nutty
2,3-
dimethyl pyrazine
FL/FR
2-
ethyl pyrazine
FL/FR
soapy
ethyl undecanoate
FL/FR
spicy
3-(2-
furyl) acrolein
FL/FR
tropical
delta-
dodecalactone
FL/FR
waxy
5(6)-
decenoic acid
FL/FR
2-
methyl heptanoic acid
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-4-isopropenyl pyridine
FL
2-
acetyl-4-isopropyl pyridine
FL
ascorbic acid
FL
benzyl lactate
FL/FR
butyl octanoate
FL/FR
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
cinnamyl benzoate
FL/FR
6-
decenoic acid
FL
alpha,alpha-
dimethyl anisyl acetone
FL/FR
2-
ethyl pyridine
FL
3-(2-
furyl) acrolein
FL/FR
2-
heptenoic acid
FL
hexanal dihexyl acetal
FL/FR
(Z)-3-
hexenoic acid
FL
(E,E)-3,5-
octadien-2-one
FL
prenyl ethyl ether
FL/FR
prenyl isobutyrate
FL/FR
propylene acetal
FL/FR
sodium 4-methyl-2-oxovalerate
FL
acidic
acidic
iso
butyric acid
FL/FR
alliaceous
3-
tetrahydrothiophenone
FL
brown
1-
hydroxy-2-butanone
FL/FR
buttery
butyroin
FL
diacetyl
FL
2,3-
heptane dione
FL/FR
3,4-
hexane dione
FL/FR
(E)-2-
pentenoic acid
FL
caramellic
3-
methyl butyl 2-furyl butyrate
FL
citrus
lemongrass oil
FL/FR
litsea cubeba fruit oil
FL/FR
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
creamy
acetoin
FL/FR
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
butyl butyryl lactate
FL/FR
5(6)-
decenoic acid
FL/FR
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
delta-
dodecalactone
FL/FR
3-
hepten-2-one
FL/FR
jasmin pyranone
FL/FR
waxy lactone
FL/FR
fatty
diacetyl trimer
FL
2,4-
undecadienal
FL
(E,E)-2,4-
undecadienal
FL
floral
3,7-
dimethyl-6-octenoic acid
FL/FR
linalyl butyrate
FL/FR
mimosa absolute morocco
FL/FR
fruity
acetoin acetate
FL/FR
acetyl isovaleryl
FL
butyl 2-methyl butyrate
FL/FR
butyl heptanoate
FL/FR
gamma-
decalactone
FL/FR
ethyl lactate
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl hexanoate
FL/FR
lilac acetaldehyde
FL/FR
2-
methyl-2-pentenal
FL/FR
green
alfalfa oil
FL/FR
alfalfa resinoid
FL/FR
dibutyl sulfide
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
(Z)-4-
heptenal
FL/FR
heptyl heptanoate
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexenal
FL/FR
hexyl butyrate
FL/FR
4-
methyl-2-pentenal
FL
3,5,5-
trimethyl hexanol
FL/FR
minty
(-)-iso
pulegol
FL/FR
iso
pulegol
FL/FR
mushroom
1-
octen-3-yl butyrate
FL/FR
nutty
coffee furanone
FL/FR
2,3-
dimethyl pyrazine
FL/FR
2-
ethyl pyrazine
FL/FR
sour
butyric acid
FL/FR
toasted
acetyl propionyl
FL/FR
waxy
butyl undecylenate
FL/FR
ethyl undecanoate
FL/FR
2-
methyl heptanoic acid
FL/FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
 
Potential Uses:
FLbutter
FLcitrus
FRcoffee
FLfruit tropical fruit
 grass
FLgreen
FLmeat
FLsavory
FLtomato
FLvegetable
 
Occurrence (nature, food, other):note
 chicken
Search PMC Picture
 passion fruit yellow
Search Trop Picture
 squid
Search Picture
 tomato paste
Search Picture
 
Synonyms:
 hexanal, 3-(methylthio)-
3-methyl thiohexaldehyde
3-methyl thiohexanal
3-(methylsulfanyl)hexanal
3-methylsulfanylhexanal
3-(methylthio)hexanal
3-methylthiohexaldehyde
3-methylthiohexanal
 
 
Notes:
Flavouring ingredient
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