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4-(3-Methylbutyl)phenol

4-(3-Methylbutyl)phenol structure

CAS No:
1805-61-4
Formula:
C11H16O
Chemical Name:
4-(3-Methylbutyl)phenol
Synonyms:
Phenol,4-(3-methylbutyl)-;Phenol,p-isopentyl-;4-(3-Methylbutyl)phenol;p-Isoamylphenol;4-Isopentylphenol;NSC 407861;NSC 65641

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Description

4-Isopentylphenol is a member of phenols.

4-(3-Methylbutyl)phenol Basic Attributes

Molecular Weight：

164.24400

Exact Mass：

164.24

UNII：

UWR17GMV7T

NSC Number：

407861|65641

DSSTox ID：

DTXSID30170967

Characteristics

PSA：

20.23000

XLogP3：

2.98080

Density：

0.9579 g/cm³ @ Temp: 23 °C

Melting Point：

27-29 °C

Boiling Point：

126 °C @ Press: 14 Torr

Flash Point：

125.5ºC

Refractive Index：

1.516

Vapor Pressure：

0.00909mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:164.24
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:164.120115130
Monoisotopic Mass:164.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:12
Complexity:112
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(3-Methylbutyl)phenol

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

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