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4-tert-Octylphenol

4-tert-Octylphenol structure

CAS No:
140-66-9
Formula:
C14H22O
Chemical Name:
4-tert-Octylphenol
Synonyms:
Phenol,4-(1,1,3,3-tetramethylbutyl)-;Phenol,p-(1,1,3,3-tetramethylbutyl)-;4-(1,1,3,3-Tetramethylbutyl)phenol;p-tert-Octylphenol;4-tert-Octylphenol;p-Octylphenol;p-(1,1,3,3-Tetramethylbutyl)phenol;4-Octylphenol;NSC 5427;NSC 7248;p-t-Octylphenol;4-(2,4,4-Trimethylpentan-2-yl)phenol;4-(2,2,4-Trimethylpentan-2-yl)phenol;124765-79-3;37769-53-2;85771-77-3
Categories:
Organic Chemistry > Alcohols, Phenols, Phenol Alcohols

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Description

Solid

4-tert-Octylphenol Basic Attributes

Molecular Weight：

206.32

Exact Mass：

206.32

EC Number：

205-426-2

HScode：

29071300

Characteristics

PSA：

20.2

XLogP3：

Appearance：

Liquid; OtherSolid; PelletsLargeCrystals; PelletsLargeCrystals, Liquid

Density：

0.89 g/cm³ @ Temp: 90 °C

Melting Point：

84-85 °C

Boiling Point：

158 °C @ Press: 20 Torr

Flash Point：

145 °C

Refractive Index：

1.5135 (20ºC)

Water Solubility：

water: slightly soluble 0.007g/L at 20°C

Storage Conditions：

Refrigerator

Vapor Pressure：

4.7X10-3 kPa at 74 deg C

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

2430

wgk germany：

hazard class code：

21-38-41-50/53-67-66-36-11-52/53-68-62-40

safety instructions：

26-36-61-60-39-16-9

RTECS Number：

SM9625000

Marks：

Xn,N,Xi,F

Stability/Shelf Life：

Stable under recommended storage conditions.

Precautionary statement(s)：

P264, P273, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P362, P391, P501

Hazard Statements：

H315

4-tert-Octylphenol Use and Manufacturing

A common environmental pollutant showing weak estrogenic effects. Has been shown to cause harm to the male reproductive system of vertebrates.

Computed Properties

Molecular Weight:206.32
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:206.167065321
Monoisotopic Mass:206.167065321
Topological Polar Surface Area:20.2
Heavy Atom Count:15
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

2,4,4-Trimethyl-1-pentene

Phenol

Benzene

Downstream Products

Phenol

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