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3-Mercapto-2-butanol

3-Mercapto-2-butanol structure

CAS No:
54812-86-1
Formula:
C4H10OS
Chemical Name:
3-Mercapto-2-butanol
Synonyms:
2-Butanol,3-mercapto-;3-Mercapto-2-butanol;2-Mercapto-3-butanol;1,2-Dimethyl-2-mercaptoethanol;3-Sulfanylbutan-2-ol;2-Mercapto-3-hydroxybutane
Categories:
Chemical Reagents > Organic Reagents

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3-Mercapto-2-butanol Basic Attributes

Molecular Weight：

106.19

Exact Mass：

106.19

EC Number：

253-701-0

HScode：

2930909090

Characteristics

PSA：

21.2

XLogP3：

0.47

Density：

1.0±0.1 g/cm3

Melting Point：

-100°C (estimate)

Boiling Point：

59-61 °C10 mm Hg(lit.)

Flash Point：

143 °F

Refractive Index：

1.472

Water Solubility：

insoluble in water; miscible in alcohol and fat

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 3336 3/PG 3

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|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.|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Mercapto-2-butanol Use and Manufacturing

Uses

Used as food flavor

Use Classification：

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

Food Additive Classes：

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
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-sulfanylbutan-2-ol CAS No.: 54812-86-1

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