o-Krezol

o-Krezol
Kekulé, skeletal formula of o-cresol with some implicit hydrogens shown	Spacefill model of o-cresol
Naziv po klasifikaciji	2-Metilfenol
Drugi nazivi	2-Hidroksitoluen
Identifikacija
CAS registarski broj	95-48-7
PubChem	335
ChemSpider	13835772
UNII	YW84DH5I7U
EINECS broj	202-423-8
UN broj	2076, 3455
KEGG	C01542
MeSH	2-Cresol
ChEBI	28054
ChEMBL	CHEMBL46931
RTECS registarski broj toksičnosti	GO6300000
Bajlštajn	506917
Gmelin Referenca	101619
3DMet	B00313
Jmol-3D slike	Slika 1
SMILES
	Cc1ccccc1O
InChI
	InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3 ; Kod: QWVGKYWNOKOFNN-UHFFFAOYSA-N
Svojstva
Molekulska formula	C7H8O
Molarna masa	108.14 g mol−1
Agregatno stanje	Bezbojni kristali
Gustina	1,0465 g cm-3
Tačka topljenja	31 °C, 304 K, 88 °F
Tačka ključanja	191 °C, 464 K, 376 °F
Rastvorljivost u vodi	31 g dm-3 (na 40 °C)
Rastvorljivost u etanol	meša se (na 30 °C)
Rastvorljivost u dietil etar	Meša se (na 30 °C)
log P	1.962
Napon pare	40 Pa (na 20 °C)
pKa	10,316
Baznost (pKb)	3,681
Indeks prelamanja (nD)	1,5353
Viskoznost	35,06 cP (na 45 °C)
Termohemija
Standardna entalpija stvaranja jedinjenja ΔfHo298	-204,3 kJ mol-1
Std entalpija; sagorevanja ΔcHo298	-3,6936 MJ mol-1
Standardna molarna entropija So298	165,44 J K-1 mol-1
Specifični toplotni kapacitet, C	154,56 J K-1 mol-1
Opasnost
Podaci o bezbednosti prilikom rukovanja (MSDS)	External MSDS
EU-klasifikacija	T C
EU-indeks	604-004-00-9
NFPA 704	2 3 0
R-oznake	R24/25, R34
S-oznake	(S1/2), S36/37/39, S45
Tačka paljenja	81 °C
Tačka spontanog paljenja	598.9 °C
Srodna jedinjenja
Srodna materije	m-krezol, p-krezol, fenol
	(šta je ovo?) (verifikuj) ; Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala
	Infobox references

Orto-krezol (2-metilfenol) je fenol sa formulom (CH₃)C₆H₄(OH).^[7]^[8]

On je izomer p-krezola, m-krezola i anizola. Krezoli su široko rasprostranjeni u prirodi. Njihova tačka topljenja je blizo sobne temperature. Poput drugih tipova fenola, oni se sporo oksiduju pri dugotrajnom izlaganju vazduhu. Nečistoće često daju krezolima žućkastu boju.

Reference

↑ „2-Cresol - PubChem Public Chemical Database”. The PubChem Project. USA: National Center for Biotechnology Information.
↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519. edit
↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1.
↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846. edit
↑ Joanne Wixon, Douglas Kell (2000). „Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”. Yeast 17 (1): 48–55. DOI:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H.
↑ Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948863. edit
↑ Clayden Jonathan, Nick Greeves, Stuart Warren, Peter Wothers (2001). Organic chemistry. Oxford, Oxfordshire: Oxford University Press. ISBN 0-19-850346-6.
↑ Morrison Robert Thornton, Boyd Robert Neilson (2006). Organic chemistry. Engelwood Cliffs, New Jersey: Prentice Hall. ISBN 8120307658.

Spoljašnje veze

Portal Hemija

o-Cresol (ICSC)
Environmental Science - SMILES Examples Notations Arhivirano 2008-10-11 na Wayback Machine-u

[1] „2-Cresol - PubChem Public Chemical Database”. The PubChem Project. USA: National Center for Biotechnology Information.

[2] Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519. edit

[3] Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1.

[4] Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846. edit

[5] Joanne Wixon, Douglas Kell (2000). „Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”. Yeast 17 (1): 48–55. DOI:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H.

[6] Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948863. edit

[Clayden1st-7] Clayden Jonathan, Nick Greeves, Stuart Warren, Peter Wothers (2001). Organic chemistry. Oxford, Oxfordshire: Oxford University Press. ISBN 0-19-850346-6.

[MorrisonBoyd6th-8] Morrison Robert Thornton, Boyd Robert Neilson (2006). Organic chemistry. Engelwood Cliffs, New Jersey: Prentice Hall. ISBN 8120307658.

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