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Home > Encyclopedia > rel-(2R,3S)-3-Mercapto-2-butanol

rel-(2R,3S)-3-Mercapto-2-butanol

rel-(2R,3S)-3-Mercapto-2-butanol structure

rel-(2R,3S)-3-Mercapto-2-butanol 

structure
  • CAS No:

    37887-04-0

  • Formula:

    C4H10OS

  • Chemical Name:

    rel-(2R,3S)-3-Mercapto-2-butanol

  • Synonyms:

    2-Butanol,3-mercapto-,(2R,3S)-rel-;2-Butanol,3-mercapto-,(R*,S*)-;rel-(2R,3S)-3-Mercapto-2-butanol

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

rel-(2R,3S)-3-Mercapto-2-butanol Basic Attributes

106.19

106.19

253-701-0

KL9B6KGH7J

Characteristics

59.03000

0.47

Colorless transparent liquid

1.0±0.1 g/cm3

59-61 °C10 mm Hg(lit.)

143 °F

1.472

insoluble in water; miscible in alcohol and fat

Safety Information

UN 3336 3/PG 3

3

36/37/38

26-36/37/39

Xi

P261-P305 + P351 + P338

H226-H315-H319-H335

|Warning|H315 (99.31%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 1440 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

rel-(2R,3S)-3-Mercapto-2-butanol Use and Manufacturing

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

Flavoring Agents

Computed Properties

Molecular Weight:106.19
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:106.04523611
Monoisotopic Mass:106.04523611
Topological Polar Surface Area:21.2
Heavy Atom Count:6
Complexity:38.5
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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