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2,3-Dimercaptopropane

2,3-Dimercaptopropane structure

CAS No:
814-67-5
Formula:
C3H8S2
Chemical Name:
2,3-Dimercaptopropane
Synonyms:
1,2-Propanedithiol;2,3-Dimercaptopropane;1,2-Dithiolpropane;1,2-Dimercaptopropane;1-Methyl-1,2-ethanedithiol;NSC 72085;108061-07-0;61842-55-5
Categories:
Chemical Reagents > Organic Reagents

Description

1,2-Propanedithiol is virtually odorless. FEMA indicates that total dithiol added to any food should not exceed 1.00 ppm.

clear blue liquid

2,3-Dimercaptopropane Basic Attributes

Molecular Weight：

108.23

Exact Mass：

108.23

EC Number：

212-398-5

NSC Number：

72085

HScode：

2930909090

Characteristics

PSA：

XLogP3：

1.23450

Appearance：

clear blue liquid

Density：

1.061 g/cm³ @ Temp: 20 °C

Melting Point：

-79°C (estimate)

Boiling Point：

152 °C

Flash Point：

35°C

Refractive Index：

1.506

Water Solubility：

insoluble in water; miscible in oil

Safety Information

Hazard category：

3/6.1

Transport codes：

1228

hazard class code：

10-36/37/38

safety instructions：

16-26-36/37/39

RTECS Number：

TZ2585000

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (99.57%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 234 companies from 3 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

1,2-dimercaptopropane

2,3-Dimercaptopropane Use and Manufacturing

Manufacturing Info：

1,2-Propanedithiol: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:108.23
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:108.00674260
Monoisotopic Mass:108.00674260
Topological Polar Surface Area:2
Heavy Atom Count:5
Complexity:20.9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes