D175609
3,4-Dimethylphenol
98%
Synonym(s):
4-Hydroxy-o-xylene
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About This Item
Linear Formula:
(CH3)2C6H3OH
CAS Number:
Molecular Weight:
122.16
EC Number:
202-439-5
UNSPSC Code:
12352100
MDL number:
Beilstein/REAXYS Number:
1099267
assay
98%
bp
227 °C (lit.)
mp
63-66 °C
SMILES string
Cc1ccc(O)cc1C
InChI
1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
InChI key
YCOXTKKNXUZSKD-UHFFFAOYSA-N
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges
Regulatory Information
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Giorgio Ottaviani et al.
Journal of medicinal chemistry, 50(4), 742-748 (2007-02-16)
The development of in silico and in vitro tools to estimate or predict the passive human skin permeation and distribution of new chemical entities, useful in dermal drug delivery, in absorption studies of toxic compounds, and in the cosmetics industry
Bram Baert et al.
Bioorganic & medicinal chemistry, 15(22), 6943-6955 (2007-09-11)
A set of 116 structurally very diverse compounds, mainly drugs, was characterized by 1630 molecular descriptors. The biological property modelled in this study was the transdermal permeability coefficient logK(p). The main objective was to find a limited set of suitable
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