Benzil alkohol

Benzil alkohol
Identifikacija
CAS broj	100-51-6 ;
3D model (Jmol)	interaktivna slika;
ChEBI	CHEBI:17987 ;
DrugBank	DB06770;
ECHA InfoCard	100.002.600
E-brojevi	E1519 (dodatne hemikalije)
	SMILES OCC1=CC=CC=C1; ; ; ; ; ;
Svojstva
Hemijska formula	C7H8O
Molarna masa	108,138
Tačka topljenja	-15..2
Tačka ključanja	205.3 °C, 478 K, 402°F
Farmakologija
Načini upotrebe	topikalni
	Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje materijala (na 25 °C [77 °F], 100 kPa).
	verifikuj (šta je ?)
	Reference infokutije

Benzil alkohol je organsko jedinjenje, koje sadrži 7 atoma ugljenika i ima molekulsku masu od 108,138 Da.^[1]^[2]^[3]^[4]^[5]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	1
Broj rotacionih veza	1
Particioni koeficijent^[6] (ALogP)	1,2
Rastvorljivost^[7] (logS, log(mol/L))	-1,2
Polarna površina^[8] (PSA, Å²)	20,2

Reference

^ Taylor, P. M.; Chengelis, C. P.; Miller, W. R.; Parker, G. A.; Gleason, T. R.; Cozzi, E. (2012). „Evaluation of propofol containing 2% benzyl alcohol preservative in cats”. Journal of Feline Medicine and Surgery. 14 (8): 516—526. PMID 22366290. S2CID 41438737. doi:10.1177/1098612X12440354.
^ Novak, E.; Stubbs, S. S.; Sanborn, E. C.; Eustice, R. M. (1972). „The tolerance and safety of intravenously administered benzyl alcohol in methylprednisolone sodium succinate formulations in normal human subjects”. Toxicology and Applied Pharmacology. 23 (1): 54—61. PMID 4560999. doi:10.1016/0041-008x(72)90203-7.
^ Meinking, Terri L.; Villar, Maria E.; Vicaria, Maureen; Eyerdam, Debbie H.; Paquet, Diane; Mertz-Rivera, Kamara; Rivera, Hector F.; Hiriart, Javier; Reyna, Susan (2010). „The Clinical Trials Supporting Benzyl Alcohol Lotion 5% (Ulesfia^TM): A Safe and Effective Topical Treatment for Head Lice (Pediculosis Humanus Capitis)”. Pediatric Dermatology. 27 (1): 19—24. PMID 20199404. S2CID 24882360. doi:10.1111/j.1525-1470.2009.01059.x.
^ Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035—41. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126.
^ Nucleic Acids Res (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic Acids Research. 36 (Database issue): D901—6. PMC 2238889 . PMID 18048412. doi:10.1093/nar/gkm958. |first2= zahteva |last2= u Authors list (pomoć); |first3= zahteva |last3= u Authors list (pomoć); |first4= zahteva |last4= u Authors list (pomoć); |first5= zahteva |last5= u Authors list (pomoć); |first6= zahteva |last6= u Authors list (pomoć); |first7= zahteva |last7= u Authors list (pomoć); |first8= zahteva |last8= u Authors list (pomoć)
^ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102 (21): 3762—3772. doi:10.1021/jp980230o. Arhivirano iz originala 22. 07. 2014. g. Pristupljeno 13. 12. 2013.
^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41 (6): 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43 (20): 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Literatura

Clayden, Jonathan; Greeves, Nick; Warren, Stuart; Wothers, Peter (2001). Organic Chemistry (I izd.). Oxford University Press. ISBN 978-0-19-850346-0.
Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th izd.). New York: Wiley-Interscience. ISBN 0-471-72091-7.
Katritzky A.R.; Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry (Second izd.). Academic Press. ISBN 0080429882.

Spoljašnje veze

Benzyl alcohol

[1] Taylor, P. M.; Chengelis, C. P.; Miller, W. R.; Parker, G. A.; Gleason, T. R.; Cozzi, E. (2012). „Evaluation of propofol containing 2% benzyl alcohol preservative in cats”. Journal of Feline Medicine and Surgery. 14 (8): 516—526. PMID 22366290. S2CID 41438737. doi:10.1177/1098612X12440354.

[2] Novak, E.; Stubbs, S. S.; Sanborn, E. C.; Eustice, R. M. (1972). „The tolerance and safety of intravenously administered benzyl alcohol in methylprednisolone sodium succinate formulations in normal human subjects”. Toxicology and Applied Pharmacology. 23 (1): 54—61. PMID 4560999. doi:10.1016/0041-008x(72)90203-7.

[3] Meinking, Terri L.; Villar, Maria E.; Vicaria, Maureen; Eyerdam, Debbie H.; Paquet, Diane; Mertz-Rivera, Kamara; Rivera, Hector F.; Hiriart, Javier; Reyna, Susan (2010). „The Clinical Trials Supporting Benzyl Alcohol Lotion 5% (Ulesfia^TM): A Safe and Effective Topical Treatment for Head Lice (Pediculosis Humanus Capitis)”. Pediatric Dermatology. 27 (1): 19—24. PMID 20199404. S2CID 24882360. doi:10.1111/j.1525-1470.2009.01059.x.

[4] Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035—41. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126.

[5] Nucleic Acids Res (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic Acids Research. 36 (Database issue): D901—6. PMC 2238889 . PMID 18048412. doi:10.1093/nar/gkm958. |first2= zahteva |last2= u Authors list (pomoć); |first3= zahteva |last3= u Authors list (pomoć); |first4= zahteva |last4= u Authors list (pomoć); |first5= zahteva |last5= u Authors list (pomoć); |first6= zahteva |last6= u Authors list (pomoć); |first7= zahteva |last7= u Authors list (pomoć); |first8= zahteva |last8= u Authors list (pomoć)

[6] Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102 (21): 3762—3772. doi:10.1021/jp980230o. Arhivirano iz originala 22. 07. 2014. g. Pristupljeno 13. 12. 2013.

[7] Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41 (6): 1488—1493. PMID 11749573. doi:10.1021/ci000392t.

[8] Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43 (20): 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

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Normativna kontrola
Državne	Francuska BnF podaci Nemačka
Ostale	Enciklopedija Britanika 2