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2,4-Diisopropylphenol

2,4-Diisopropylphenol structure

CAS No:
2934-05-6
Formula:
C12H18O
Chemical Name:
2,4-Diisopropylphenol
Synonyms:
Phenol,2,4-bis(1-methylethyl)-;Phenol,2,4-diisopropyl-;2,4-Bis(1-methylethyl)phenol;2,4-Diisopropylphenol;2,4-Di(propan-2-yl)phenol;2,4-Bis(propan-2-yl)phenol
Categories:
Organic Chemistry > Organic Fluorine Compound

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2,4-Diisopropylphenol Basic Attributes

Molecular Weight：

178.275

Exact Mass：

178.27

EC Number：

220-906-1

UNII：

YD41XSG2L8

DSSTox ID：

DTXSID7042273

HScode：

2907199090

Characteristics

PSA：

20.2

XLogP3：

3.8

Density：

0.9825 g/cm³ @ Temp: 25 °C

Melting Point：

37.99°C (estimate)

Boiling Point：

228-230 °C

Flash Point：

109.6±7.2 °C

Refractive Index：

1.513

Water Solubility：

Sparingly soluble at water (0.25 g/L at 25°C).

Vapor Pressure：

0.0199mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

SL0800000

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.5%): 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 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,4-Diisopropylphenol Use and Manufacturing

2,4-Diisopropylphenol is a related compound of Propofol (P829750), as an antioxidant.

Computed Properties

Molecular Weight:178.27
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:178.135765193
Monoisotopic Mass:178.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:13
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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