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Home > Encyclopedia > 3-Mercaptoisobutyric acid

3-Mercaptoisobutyric acid

3-Mercaptoisobutyric acid structure

3-Mercaptoisobutyric acid 

structure
  • CAS No:

    26473-47-2

  • Formula:

    C4H8O2S

  • Chemical Name:

    3-Mercaptoisobutyric acid

  • Synonyms:

    Propanoic acid,3-mercapto-2-methyl-;Propionic acid,3-mercapto-2-methyl-;Isobutyric acid,β-mercapto-;3-Mercapto-2-methylpropanoic acid;3-Mercapto-2-methylpropionic acid;3-Mercaptoisobutyric acid;74709-27-6

  • Categories:

    Analytical Chemistry  >  Standard

Description

Pale Yellow Oil

3-Mercaptoisobutyric acid Basic Attributes

120.17

120.17

247-726-6

2930909090

Characteristics

38.3

0.78

Pale Yellow Oil

1.2±0.1 g/cm3

120-122 °C @ Press: 12 Torr

94.4±22.6 °C

1.491

-20°C

0.0206mmHg at 25°C

Safety Information

NONH for all modes of transport

36/37/38-36/38

26-36/37/39

Xi

P305 + P351 + P338

H315-H319

|Warning|H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

3-mercapto-2-methylpropionate

3-Mercaptoisobutyric acid Use and Manufacturing

Uses

A usefule synthetic intermediate

Food additives -> Flavoring Agents

Flavoring Agents

Computed Properties

Molecular Weight:120.17
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:120.02450067
Monoisotopic Mass:120.02450067
Topological Polar Surface Area:38.3
Heavy Atom Count:7
Complexity:72.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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