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41310

2,4-Dimethylphenol

purum, ≥97.0% (GC)

Synonym(s):

4-Hydroxy-m-xylene, asym.-m-Xylenol

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About This Item

Linear Formula:
(CH3)2C6H3OH
CAS Number:
105-67-9
Molecular Weight:
122.16
EC Number:
203-321-6
UNSPSC Code:
12352100
MDL number:
MFCD00002233
Beilstein/REAXYS Number:
636244
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vapor pressure

0.1 mmHg ( 25 °C)

grade

purum

assay

≥97.0% (GC)

impurities

≤3% 2,5-dimethylphenol

refractive index

n20/D 1.538 (lit.), n20/D 1.540

bp

211-212 °C (lit.)

mp

22-23 °C (lit.)

density

1.011 g/mL at 25 °C (lit.)

SMILES string

Cc1ccc(O)c(C)c1

InChI

1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3

InChI key

KUFFULVDNCHOFZ-UHFFFAOYSA-N

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Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1B

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

201.2 °F - closed cup

flash_point_c

94.0 °C - closed cup

ppe

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

Regulatory Information

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Cynthia D Selassie et al.
Journal of medicinal chemistry, 48(23), 7234-7242 (2005-11-11)
In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspase activity by 50% (I50) and utilized these data to develop the following
Masaaki Fujikawa et al.
Bioorganic & medicinal chemistry, 15(11), 3756-3767 (2007-04-10)
We previously reported a classical quantitative structure-activity relationship (QSAR) equation for permeability coefficients (P(app-pampa)) by parallel artificial membrane permeation assay (PAMPA) of structurally diverse compounds with simple physicochemical parameters, hydrophobicity at a particular pH (logP(oct) and |pK(a)-pH|), hydrogen-accepting ability (SA(HA))
Giulia Caron et al.
Journal of medicinal chemistry, 48(9), 3269-3279 (2005-04-29)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in

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