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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signalword
Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1B
存储类别
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
法规信息
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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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