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4-MERCAPTO-1-BUTANOL

4-MERCAPTO-1-BUTANOL structure

CAS No:
14970-83-3
Formula:
C4H10OS
Chemical Name:
4-MERCAPTO-1-BUTANOL
Synonyms:
4-MERCAPTO-1-BUTANOL;4-MERCAPTO-1-BUTANOL 97+%;4-Mercaptobutan-1-ol;4-Mercapto-1-butanol 95%;1-Butanol, 4-mercapto-
Categories:
Chemical Reagents > Organic Reagents

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4-MERCAPTO-1-BUTANOL Basic Attributes

Molecular Weight：

106.19

Exact Mass：

106.04500

DSSTox ID：

DTXSID00338310

Characteristics

PSA：

21.2

XLogP3：

0.68870

Density：

1.03 g/mL at 25 °C(lit.)

Melting Point：

-100°C (estimate)

Boiling Point：

102-103 °C20 mm Hg(lit.)

Flash Point：

202 °F

Refractive Index：

n 20/D 1.494(lit.)

Vapor Pressure：

0.147mmHg at 25°C

Safety Information

Transport codes：

UN 3334

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): 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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:106.19
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:106.04523611
Monoisotopic Mass:106.04523611
Topological Polar Surface Area:21.2
Heavy Atom Count:6
Complexity:23.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes