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Merck
CN

B99006

2-sec-Butylphenol

98%

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About This Item

Linear Formula:
C2H5CH(CH3)C6H4OH
CAS Number:
89-72-5
Molecular Weight:
150.22
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24892163
EC Number:
201-933-8
Beilstein/REAXYS Number:
1210026
MDL number:
MFCD00002225
Assay:
98%
Form:
liquid

Key Documents

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SMILES string

CCC(C)c1ccccc1O

InChI

1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3

InChI key

NGFPWHGISWUQOI-UHFFFAOYSA-N

vapor pressure

0.03 mmHg ( 20 °C)

assay

98%

form

liquid

Quality Level

100

Gene Information

rat ... Ar(24208)

bp

226-228 °C (lit.)

mp

12 °C (lit.)

density

0.982 g/mL at 25 °C (lit.)

Related Categories

Application

2-sec-Butylphenol is a precursor to synthesize various coumarin and benzofuran derivatives that are used as lipid-lowering agents and potential bone anabolic agents. It can also be used as a solvent in organic synthesis.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 2

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1C

flash_point_f

212.0 °F - closed cup

flash_point_c

100 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCB1786V
MKBX9303V
MKBX3850V
02806KP
08627LA

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Benzofuran-pyran hybrids: A new class of potential bone anabolic agents.
Gupta S, et al.
Bioorganic & Medicinal Chemistry Letters, 28(10), 1719-1724 (2018)
V P Bintoro et al.
The Analyst, 120(11), 2747-2753 (1995-11-01)
A rapid, simple and direct visible spectrophotometric method, based on the quantitative nitration of 2-sec-butylphenol in concentrated sulfuric acid, is described for the determination of nitrate in milk. The nitration product was extracted into toluene and the yellow nitrophenoxide compound
Benzofuran-dihydropyridine hybrids: A new class of potential bone anabolic agents.
Modukuri R K, et al.
Bioorganic & Medicinal Chemistry, 25(24), 6450-6466 (2017)
Spectrophotometric determination of nitrate in vegetable products using 2-sec-butylphenol.
A Tanaka et al.
The Analyst, 107(1271), 190-194 (1982-02-01)
Discovery of coumarin?dihydropyridine hybrids as bone anabolic agents.
Sashidhara K V, et al.
Journal of Medicinal Chemistry, 56(1), 109-122 (2012)
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