2-Methyl-1-propanethiol
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2-Methyl-1-propanethiol
structure -
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CAS No:
513-44-0
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Formula:
C4H10S
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Chemical Name:
2-Methyl-1-propanethiol
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Synonyms:
1-Propanethiol,2-methyl-;2-Methyl-1-propanethiol;Isobutyl mercaptan;1-Isobutanethiol;Isobutyl thiol;NSC 203271;2-Methylpropyl mercaptan
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CAS No:
Description
Liquid; unpleasant odor. 2-Methyl-1-propanethiol has a cooked vegetable, almost mustard-like, odor
Liquid|colourless liquid with cooked vegetable, mustard-like odour
Characteristics
1
2.13
Liquid
0.8338 g/cm3 @ Temp: 20 °C
<-70 °C
88.5 °C
15 °F
1.435
H2O: slightly soluble
124 mm Hg ( 37.8 °C)
3.1 (vs air)
Oral-rat LD50: 7168 mg/kg
Flammable; burning emits toxic sulfur dioxide gas; in contact with water emits flammable toxic sulfide-containing gas
4.50e-11 cm3/molecule*sec
Safety Information
II
3.1
UN 2347 3/PG 2
3
11-36/37/38
16-26-36
TZ7630000
F,Xi
Treasury is ventilated, low temperature and dry; stored and transported separately from oxidants and acids
Mix with air to form explosive mixture;
P210-P261-P305 + P351 + P338
H225-H315-H319-H335
2-Methyl-1-propanethiol Use and Manufacturing
From bromoisobutane prepared by the following steps. Thiourea and bromoisobutane use methanol as solvent, reflux reaction for 4-5h, after recovering methanol, add lye and reflux for 4h, add dilute acid to acidity, and then isobutyl mercaptan will be evaporated until it stops steaming. . The water layer is separated, the oil layer is dried with anhydrous magnesium sulfate, the desiccant is separated, and fractional distillation is performed, and the 85-86°C fraction is collected as the finished product.
Analysis reagents.
1-Propanethiol, 2-methyl-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:90.19
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:90.05032149
Monoisotopic Mass:90.05032149
Topological Polar Surface Area:1
Heavy Atom Count:5
Complexity:17.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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