1,3-Dimercaptopropane

1,3-Dimercaptopropane Basic information
Application Toxicity Usage restriction
Product Name:1,3-Dimercaptopropane
Synonyms:1,3-Propanedimercaptan;1,3-propyldimercaptan;NDR-132;FEMA 3588;DITHIOTRIMETHYLENEGLYCOL;1,3-DIMERCAPTOPROPANE;TRIMETHYLENE DIMERCAPTAN;TRIMETHYLENEDITHIOGLYCOL
CAS:109-80-8
MF:C3H8S2
MW:108.23
EINECS:203-706-9
Product Categories:Building Blocks;Chemical Synthesis;Contact Printing;Dithiols;Materials Science;Micro/NanoElectronics;Organic Building Blocks;Self Assembly &;Self-Assembly Materials;Sulfur Compounds;Thiols;Thiols/Mercaptans;thiol Flavor
Mol File:109-80-8.mol
1,3-Dimercaptopropane Structure
1,3-Dimercaptopropane Chemical Properties
Melting point -79 °C (lit.)
Boiling point 169 °C (lit.)
density 1.078 g/mL at 25 °C (lit.)
vapor density >1 (vs air)
vapor pressure 5 mm Hg ( 37.7 °C)
refractive index n20/D 1.539(lit.)
FEMA 3588 | 1,3-PROPANEDITHIOL
Fp 138 °F
storage temp. Store below +30°C.
pka9.86±0.10(Predicted)
form Liquid
color Clear light yellow
Specific Gravity1.078
Odorat 0.10 % in propylene glycol. meaty sulfurous
Odor Typemeaty
Water Solubility <0.1 g/100 mL at 21 ºC
Merck 14,7801
JECFA Number535
BRN 1071197
Stability:Stable. Incompatible with oxidizing agents, bases, reducing agents, alkali metals. Store cool.
LogP1.70
CAS DataBase Reference109-80-8(CAS DataBase Reference)
NIST Chemistry Reference1,3-Propanedithiol(109-80-8)
EPA Substance Registry System1,3-Propanedithiol (109-80-8)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-24/25
RIDADR 3336
WGK Germany 3
RTECS TZ2585500
13
TSCA Yes
HazardClass 6.1
PackingGroup III
HS Code 29309070
ToxicityLD50 orally in Rabbit: > 50 - 300 mg/kg
MSDS Information
ProviderLanguage
1,3-Dimercaptopropane English
SigmaAldrich English
ACROS English
ALFA English
1,3-Dimercaptopropane Usage And Synthesis
ApplicationUsed as a usual flavor.
ToxicityGRAS(FEMA)
Usage restrictionFEMA:baked goods, meat product, soups, snack foods, sauces, candy and sugar cream: 0.2mg/kg.
Chemical Properties1,3-Propanedithiol has a sulfur, meaty odor. FEMA indicates that total dithiol added to any food should not exceed 1.0 ppm.
Chemical Propertiescolourless to slightly yellow liquid
OccurrenceReported found in cooked or boiled beef.
Uses1,3-Propanedithiol is used as a reagent in the preparation of thioketals and thioacetals. It acts as a flavoring agent. It is used as a precursor in the synthesis of cyclic dithioacetal (1,3-dithiane) derivatives of carbonyl compounds. It is involved in the preparation of diiron propanedithiolate hexacarbonyl by reacting reaction with triiron dodecacarbonyl. Further, it is used for the protection of aldehydes and ketones through their reversible formation of dithianes. In addition to this, it reacts with metal ions to form chelate rings.
DefinitionChEBI: A dithiol that is propane substituted by thiol groups at positions 1 ans 3.
General DescriptionClear orange oil with a disagreeable odor.
Air & Water ReactionsHighly flammable. Insoluble in water.
Reactivity ProfileOrganosulfides, such as 1,3-Dimercaptopropane, are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. 1,3-Dimercaptopropane may react with oxidizers, bases, reducing agents and alkali metals.
Fire Hazard1,3-Dimercaptopropane is combustible.
DIMERCAPTOPROPANE(2,3-) SULFONIC ACID, SODIUM SALT PYRITHIOXIN DIHYDROCHLORIDE PROPYLENE DIISOTHIURONIUM DIBROMIDE 3,5-DIMERCAPTOPROPANE SULFONIC ACID Propane Calcium thioglycolate 2-PHENYL-1,3-DITHIANE 2-Ethylhexyl mercaptoacetate PYRITHIOXIN Ethyl 1,3-dithiane-2-carboxylate 1,5-DITHIACYCLOOCTAN-3-OL POTASSIUM THIOGLYCOLATE 2,3-Dimercaptopropanesulfonic acid sodium salt Ethanethiol 1,3-Dimercaptopropane 2,3-Dimercaptopropane,1,2-DIMERCAPTOPROPANE 2,3-Dimercaptopropane-1-Sulfonic Acid 2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate

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