Introduction：Basic information about CAS 527-60-6|2,4,6-Trimethylphenol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2].
Related Catalog
Research Areas >>OthersSignaling Pathways >>Others >>Others
In Vitro
Peroxidatic substrates, catechol (CAT) and 2,4,6-trimethylphenol (TMP) were used as probes of thechloride dependent reactions catalyzed by chloroperoxidase (CPO). TMP is consumed only in the presence of chloride. TMP is a competitive inhibitor versus CAT, but CAT is a noncompetitive inhibitor versus TMP in chloride-dependent CPO-catalyzed peroxidation reactions. The ratio of TMP versus CAT consumed by the chloride-dependent CPO reaction in direct competition studies increases as the chloride concentration is increased from 1.0 to 400 mM[3].
References
[1]. Rosado-Lausell SL, et al. Roles of singlet oxygen and triplet excited state of dissolved organic matter formed by different organic matters in bacteriophage MS2 inactivation. Water Res. 2013;47(14):4869-4879.
[2]. Paul G.Tratnyek, et al. Photo-oxidation of 2,4,6-trimethylphenol in aqueous laboratory solutions and natural waters: kinetics of reaction with singlet oxygen. Journal of Photochemistry and Photobiology A: Chemistry. Volume 84, Issue 2, 6 December 1994, Pages 153-160.
[3]. Libby RD, et al. Defining the involvement of HOCl or Cl2 as enzyme-generated intermediates in chloroperoxidase-catalyzed reactions. J Biol Chem. 1992;267(3):1769-1775.
Chemical & Physical Properties
Density
1.0±0.1 g/cm3
Boiling Point
215.8±9.0 °C at 760 mmHg
Melting Point
70-72 °C(lit.)
Molecular Formula
C9H12O
Molecular Weight
136.191
Flash Point
96.7±8.4 °C
Exact Mass
136.088821
PSA
20.23000
LogP
2.86
Vapour Pressure
0.1±0.4 mmHg at 25°C
Index of Refraction
1.536
InChIKey
BPRYUXCVCCNUFE-UHFFFAOYSA-N
SMILES
Cc1cc(C)c(O)c(C)c1
Toxicological Information
CHEMICAL IDENTIFICATION
RTECS NUMBER :
OX6590000
CHEMICAL NAME :
Mesitol
CAS REGISTRY NUMBER :
527-60-6
BEILSTEIN REFERENCE NO. :
1859675
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C9-H12-O
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCTKAG Bromatologia i Chemia Toksykologiczna. (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.4- 1971- Volume(issue)/page/year: 14,301,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 2,201,1960 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - T0455 No. of Facilities: 19 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 75 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T0455 No. of Facilities: 19 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 93 (estimated) No. of Female Employees: 56 (estimated)
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes
C:Corrosive;
Risk Phrases
R34
Safety Phrases
S26-S36/37/39-S45-S24/25
RIDADR
UN 2430 8/PG 3
WGK Germany
2
RTECS
OX6590000
Packaging Group
III
Hazard Class
8
HS Code
2907199090
Customs
HS Code
2907199090
Summary
2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
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