PROPYL MERCAPTAN

PRODUCT IDENTIFICATION

CAS NO. 107-03-9

PROPYL MERCAPTAN

EINECS NO. 203-455-5
FORMULA CH3CH2CH2SH
MOL WT. 76.15

H.S. CODE

2930.90.9190

UN NO.

2402

TOXICITY

Oral Rat LD50: 1790mg/kg
SYNONYMS 1-Propanethoil; Propane-1-thiol; Propanethiol; Thiopropyl alcohol;
1-Mercaptopropane; 1-Propanethiol; n-Propyl mercaptan; Propanethiol;
SMILES C(CS)C

CLASSIFICATION

Flavors and Fragrances, Alkyl Mercaptan

EXTRA NOTES

FEMA No. 3521.

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE clear liquid with stench odor

MELTING POINT

-113 C
BOILING POINT 65 - 71 C
SPECIFIC GRAVITY 0.84 - 0.85

SOLUBILITY IN WATER

1900 mg/l
SOLVENT SOLUBILITY soluble in alcohol, acetone, benzene, ether, hydrocarbons
pH  
VAPOR DENSITY  
log Pow 1.81 (Octanol-water)
VAPOR PRESSURE 154 (mmHg at 25 C)
HENRY LAW CONSTANT 8.12E-03 (atm-m3/mole at 25 C)
OH RATE CONSTANT 4.83E-11 (cm3/molecule-sec at 25 C Atmospheric )

AUTOIGNITION

 

REFRACTIVE INDEX

1.437 - 1.439
NFPA RATINGS Health: 1; Flammability: 3; Reactivity: 0
FLASH POINT

-20 C

STABILITY Stable under ordinary conditions

EXTERNAL LINKS & GENERAL DESCRIPTION

Wikipedia Linking (Thio)

Material Safety Data Sheet

Google Scholar Search

Local: Mercaptan: any of a class of organosulfur compounds is similar to the alcohol and phenol but containing a sulfur atom in place of the oxygen atom. Compounds containing -SH as the principal group directly attached to carbon are named 'thiols'. In substitutive nomenclature their names are formed by adding '-thiol' as a suffix to the name of the parent compound. When -SH is not the principal group, the prefix 'mercapto-' is placed before the name of the parent compound to denote an unsubstituted -SH group. 'thio'  is a chemical prefix indicates the replacement of an oxygen in an acid radical by sulfur with a negative valence of 2.

Sulfate (also spelled sulphates in Euorpe) is any chemical compound related to sulfuric acid, formed by replacing one or both of the hydrogens with a metal or a radical. Sulfite is any salt of sulfurous acid, chemical species H2SO3, which is formed in aqueous solutions of sulfur dioxide. Sulfurous acid is a clear liquid with a strong sulfur aroma. Sulfide is a compound having one or more sulfur atoms in which the sulfur is connected directly to a carbon, metal, or other nonoxygen atom; for example, sodium sulfide, Na2S. Sulfur compounds are used in the synthesis of medicine and chemicals, manufacture of wood, pulp and paper. They are used in winemaking, brewing, food preservation, metallurgy, engraving process, ore flotation, additive in making steel, bleaching, metal treatment and as an analytic reagent.

The first chemical contrast of thiols and sulfides with alcohols and ethers is acidity which is important in organic reactions. Thiols are stronger acids than relevant alcohols and phenols. Thiolate conjugate bases are easily formed, and are excellent nucleophiles in SN2 reactions of alkyl halides and tosylates. The nucleophilicity of sulfur is much greater than that of oxygen, resulting in a number of useful electrophilic substitution reaction that are rare by oxygen. For example, sulfides form (with alkyl halides) ternary sulfonium salts, in the same alkylattion of tert-amines quaternary ammonium salts, whereas ternary oxonium salts are prepared only under extream conditions. Without exception, sulfoxides, sulfinate salts and sulfite anion also alkylate on sulfur, despite of the partial negative formal charge on oxygen and partial positive charge on sulfur. The second character is the oxidation states of sulfur. Oxygen has only two oxidation states, whereas sulfur covers from –2 to +6 as follows:

  • -2: Hydrogen Sulfide (H2S), sulfides, sulfonium ions
  • -1: disulfides
  • 0: S elemental, sulfoxides, sulfenic acids
  • +2: sulfones, sulfinic acids
  • +4: sulfonic acids, sulfite esters
  • +6: sulfate esters
SALES SPECIFICATION

APPEARANCE

clear liquid

CONTENT

98.5% min

COLOR, APHA

15 max

DISTILLATION RANGE 65 - 71 C
TRANSPORTATION
PACKING 160kgs in drum
HAZARD CLASS 3 (Packing Group: II)
UN NO. 2402
OTHER INFORMATION
Hazard Symbols: F, XN, Risk Phrases: 11-21/22, Safety Phrases: 9-16-33-36/37/38