Phenol

Phenol, kent as carbolic acid an aw, is an aromatic organic compoond wi the molecular formula C₆H₅OH.

Phenol

Names
IUPAC name Phenol
Ither names Carbolic acid, benzenol, phenylic acid, hydroxybenzene, phenic acid
Identifiers
CAS Nummer	108-95-2 Y
3D model (JSmol)	Interactive eemage
ChEBI	CHEBI:15882 Y
ChEMBL	ChEMBL14060 Y
ChemSpider	971 Y
DrugBank	DB03255 Y
KEGG	D06536 Y
PubChem CID	996
RTECS nummer	SJ3325000
UNII	339NCG44TV Y
InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H Y Key: ISWSIDIOOBJBQZ-UHFFFAOYSA-N Y InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
SMILES c1ccc(cc1)O
Properties
Chemical formula	C6H6O
Molar mass	94.11 g·mol−1
Appearance	Transparent crystalline solid
Odour	Sweet an tarry
Density	1.07 g/cm3
Meltin pynt	40.5 °C (104.9 °F; 313.6 K)
Bylin pynt	181.7 °C (359.1 °F; 454.8 K)
Solubility in watter	8.3 g/100 mL (20 °C)
Vapour pressur	0.4 mmHg (20°C)[1]
Acidity (pKa)	9.95 (in watter), 29.1 (in acetonitrile)[2]
λmax	270.75 nm[3]
Dipole moment	1.224 D
Hazards
GHS pictograms	[4]
GHS hazard statements	H301, H311, H314, H331, H341, H373[4]
GHS precautionary statements	P261, P280, P301+310, P305+351+338, P310[4]
NFPA 704	2 3 COR
Flash pynt	79 °C (174 °F; 352 K)
Explosive leemits	1.8–8.6%[1]
Lethal dose or concentration (LD, LC):
LD50 (Median dose)	317 mg/kg (rat, oral) 270 mg/kg (moose, oral)[5]
LDLo (Lawest published)	420 mg/kg (rabbit, oral) 500 mg/kg (dog, oral) 80 mg/kg (cat, oral)[5]
LC50 (Median concentration)	19 ppm (mammal) 81 ppm (rat) 69 ppm (moose)
US heal exposur leemits (NIOSH):
PEL (Permissible)	TWA 5 ppm (19 mg/m3) [skin][1]
REL (Recommendit)	TWA 5 ppm (19 mg/m3) C 15.6 ppm (60 mg/m3) [15-minute] [skin][1]
IDLH (Immediate danger)	250 ppm[1]
Relatit compoonds
Except whaur itherwise notit, data are gien for materials in thair staundart state (at 25 °C [77 °F], 100 kPa).
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Infobox references

References

1. NIOSH Pocket Guide tae Chemical Hazards 0493
2. Kütt, Agnes; Movchun, Valeria; Rodima, Toomas; Dansauer, Timo; Rusanov, Eduard B.; Leito, Ivo; Kaljurand, Ivari; Koppel, Juta; Pihl, Viljar; Koppel, Ivar; Ovsjannikov, Gea; Toom, Lauri; Mishima, Masaaki; Medebielle, Maurice; Lork, Enno; Röschenthaler, Gerd-Volker; Koppel, Ilmar A.; Kolomeitsev, Alexander A. (2008). "Pentakis(trifluoromethyl)phenyl, a Sterically Crowded and Electron-withdrawing Group: Synthesis and Acidity of Pentakis(trifluoromethyl)benzene, -toluene, -phenol, and -aniline". The Journal of Organic Chemistry. 73 (7): 2607–20. doi:10.1021/jo702513w. PMID 18324831.
3. http://omlc.ogi.edu/spectra/PhotochemCAD/html/phenol.html
4. Sigma-Aldrich Co. Retrieved on 2013-07-20.
5. "Phenol". Immediately Dangerous to Life and Health. National Institute for Occupational Safety and Health (NIOSH).