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3-methyl mercaptopropyl amine

Chemical Structure

General Material Information

Preferred name 3-methyl mercaptopropyl amine
Trivial Name 3-(Methylthio)propylamine
Short Description 3-(methylthio)propylamine
Formula C4 H11 N S
CAS Number 4104-45-4
FEMA Number 4649
ECHA Number 223-875-2
FDA UNII 1IAP0CGD5S
Nikkaji Number J146.566J
MDL MFCD00041898
xLogP3-AA 0.30 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 2004 3-(methylthio)propylamine
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 4104-45-4 ; 3-(METHYLTHIO)PROPYLAMINE
Synonyms
  • 1-amino-3-(methyl thio) propane
  • 1-amino-3-(methylthio)propane
  • 3-aminopropyl methyl sulfide
  • 3-( methyl mercapto) propyl amine
  • 3-( methyl sulfanyl) propyl amine
  • 3-( methyl thio) propyl amine
  • 3-( methyl thio)-1-propanamine
  • 3-methyl thiopropyl amine
  • 3-methylmercapto propylamine
  • 3-( methylmercapto)propylamine
  • methylmercaptopropylamine
  • 3-methylmercaptopropylamine
  • 3-( methylsulfanyl)propan-1-amine
  • 3-( methylsulfanyl)propylamine
  • 3-methylsulfanylpropan-1-amine
  • 3-( methylthio)-1-propanamine
  • 3-( methylthio)propan-1-amine
  • 3-( methylthio)propylamine
  • 3-methylthiopropanamine
  • 3-methylthiopropylamine
  • 1-propanamine, 3-(methylthio)-
  • 3-propylamine
  • propylamine, 3-(methylthio)-
  • 1-Propanamine, 3-(methylthio)-
  • 3-(Methylthio)-1-propanamine
  • 3-(Methylmercapto)propylamine
  • 3-(Methylthio)propylamine
  • 3-Aminopropyl methyl sulfide
  • 1-Amino-3-(methylthio)propane
  • S-Methylhomocysteamine
  • 3-(Methylthio)-1-propylamine
  • 3-Methylsulfanyl-1-propylamine
  • 3-(Methylsulfanyl)propylamine
  • 3-Methylsulfanylpropan-1-amine

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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
CHEBI:View
KEGG (GenomeNet):C03354
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:3-(Methylthio)propylamine

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 105.20366668701
Specific gravity @ 20 °C
Pounds per Gallon 7.981 to 8.031
Refractive Index 1.489 to 1.495 @ 20 °C
Boiling Point 169 to 171°C @ 760 mm Hg
Boiling Point 66 to 67°C @ 14 mm Hg
Vapor Pressure 1.513 mmHg @ 25 °C
Flash Point TCC Value 62.22 °C TCC
logP (o/w) 0.537 est
Solubility
alcohol Yes
water, 4.928e+005 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
sulfurous, vegetable, ripe, cheesy
General comment At 0.01 % in propylene glycol. sulfurous vegetable ripe cheesy

Occurrences

Potential Uses

Applications
Flavoring purposes Cheese, Seafood

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 37/38 - Irritating to respiratory system and skin.
R 41 - Risk of serious damage to eyes.
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 36/39 - Wear suitable clothing 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 mercaptopropyl amine usage levels up to:
not for fragrance use.
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: 24
Click here to view publication 24
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: 2.000005.00000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 0.100003.00000
soft candy: --
soups: 1.000005.00000
sugar substitutes: --
sweet sauces: --

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):4104-45-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :77743
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-methylsulfanylpropan-1-amine
Chemidplus:0004104454