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3-(methyl thio) hexanal

Chemical Structure

General Material Information

Preferred name 3-(methyl thio) hexanal
Trivial Name 3-(Methylthio)hexanal
Short Description 3-methylthiohexanal
Formula C7 H14 O S
CAS Number 38433-74-8
FEMA Number 3877
Flavis Number 12.279
ECHA Number 253-929-0
FDA UNII 1U9V3213BJ
Nikkaji Number J294.659I
MDL MFCD08457878
xLogP3-AA 1.60 (est)
NMR Predictor External link
JECFA Food Flavoring 469 3-methylthiohexanal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 38433-74-8 ; 3-METHYLTHIOHEXENAL
Synonyms
  • hexanal, 3-(methylthio)-
  • 3-methyl thiohexaldehyde
  • 3-methyl thiohexanal
  • 3-( methylsulfanyl)hexanal
  • 3-methylsulfanylhexanal
  • 3-( methylthio)hexanal
  • 3-methylthiohexaldehyde
  • 3-methylthiohexanal
  • 3-methylsulfanylhexanal
  • 3-(Methylthio)hexanal

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Perfumer & Flavorists Start search
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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
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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 146.25277709961
Specific gravity @ 25 °C
Pounds per Gallon 8.046 to 8.055
Refractive Index 1.475 to 1.485 @ 20 °C
Boiling Point 206 to 207°C @ 760 mm Hg
Vapor Pressure 0.239 mmHg @ 25 °C
Flash Point TCC Value 71.67 °C TCC
logP (o/w) 2.117 est
Solubility
alcohol Yes
heptane Yes
triacetin Yes
water, 2235 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Buttery
buttery, green, grassy, privet, fatty
General comment At 0.10 % in dipropylene glycol. butter green grassy privet

Occurrences

Potential Uses

Applications
Odor purposes Coffee
Flavoring purposes Butter, Citrus, Fruit tropical fruit, Green, Meat, Savory, Tomato, Vegetable
Other purposes Grass

Safety Information

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