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3,5-diisopropylphenol

3,5-diisopropylphenol structure

CAS No:
26886-05-5
Formula:
C12H18O
Chemical Name:
3,5-diisopropylphenol
Synonyms:
3,5-diisopropylphenol;Einecs 248-086-0;Phenol, 3,5-bis(1-methylethyl)-;3,5-bis(1-methylethyl)phenol;5-BisPropan-2-YlPhenol 95%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3,5-diisopropylphenol Basic Attributes

Molecular Weight：

178.27

Exact Mass：

178.27

EC Number：

248-086-0

UNII：

35JD906HZZ

DSSTox ID：

DTXSID0073453

Color/Form：

White to Off-White

HScode：

2907199090

Characteristics

PSA：

20.23000

XLogP3：

3.63900

Density：

0.9414 (estimate)

Melting Point：

37.99°C (estimate)

Boiling Point：

260.36°C (estimate)

Flash Point：

122.2ºC

Refractive Index：

1.5085 (estimate)

Vapor Pressure：

0.00498mmHg at 25°C

PKA：

10.09±0.10(Predicted)

Critical Temperature & Pressure：

2-8°C

Safety Information

Hazard category：

IRRITANT

wgk germany：

WGK 3

3,5-diisopropylphenol Use and Manufacturing

3,5-Diisopropylphenol is a reactant used in the preparation of tyrosine analogues of endomorphin-2 as potent μ-opioid receptor ligands.

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:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3,5-diisopropylphenol

Shanghai Beixinke Chemical Co., Ltd. Contact Supplier

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3,5-diisopropylphenol CAS 26886-05-5

CAS No.: 26886-05-5

Grade: Pharmaceutical Grade

Content: 98%

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