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Butylresorcinol

Butylresorcinol structure

CAS No:
18979-61-8
Formula:
C10H14O2
Chemical Name:
Butylresorcinol
Synonyms:
1,3-Benzenediol,4-butyl-;Resorcinol,4-butyl-;4-Butyl-1,3-benzenediol;4-Butylresorcinol;Butylresorcinol;NKO 12;Rucinol;Iklen
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Description

4-Butylresorcinol is a phenol derivative which can inhibit tyrosinase with IC50 of 11.27 μM.

4-n-Butylresorcinol is a member of resorcinols.

Butylresorcinol Basic Attributes

Molecular Weight：

166.22

Exact Mass：

166.22

EC Number：

606-191-2

UNII：

2IK4UQ3ZGA

DSSTox ID：

DTXSID50172403

HScode：

2907299090

Characteristics

PSA：

40.5

XLogP3：

2.4

Appearance：

Yellow or kind of white powder

Density：

1.092±0.06 g/cm3(Predicted)

Melting Point：

47-48 °C

Boiling Point：

155-175 °C @ Press: 7 Torr

Flash Point：

144.5±14.2 °C

Refractive Index：

1.555

Vapor Pressure：

0.000616mmHg at 25°C

Safety Information

Transport codes：

UN 3077 9 / PGIII

RTECS Number：

VH0420000

Precautionary statement(s)：

P273-P280-P301 + P312 + P330-P305 + P351 + P338-P337 + P313-P391

Hazard Statements：

H302-H315-H319-H400

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 91 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-n-butylresorcinol

Butylresorcinol Use and Manufacturing

1.0L autoclave was added 90.1g (0.5mol) 4- butyryl resorcinol, was added 500ml methanol, 10percent wet Pd / C (20.0g), was heated to 80 , introducing hydrogen pressure of 1.5MPa , GC track to complete the reaction.The reaction was filtered recovered Pd / C, the filtrate was concentrated to give a pale red oily liquid, methylene chloride and n-hexane to give 72.3g 4- recrystallized butyl resorcinol, GC> 99.0percent, 87.0percent yield, two steps The total yield of 77.6percent.

Computed Properties

Molecular Weight:166.22
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:166.099379685
Monoisotopic Mass:166.099379685
Topological Polar Surface Area:40.5
Heavy Atom Count:12
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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