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m-Phenoxyphenol

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Name

m-Phenoxyphenol

EINECS N/A
CAS No. 713-68-8 Density 1.159 g/mL at 25 °C(lit.)
PSA 29.46000 LogP 3.18450
Solubility N/A Melting Point 41-42 °C(lit.)

Formula C12H10 O2 Boiling Point 185 °C12 mm Hg(lit.)
Molecular Weight 186.21 Flash Point >230 °F
Transport Information N/A Appearance CLEAR PALE YELLOW LIQUID
Safety Moderately toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes. Risk Codes R22; R36/37/38; R34
Molecular Structure Molecular Structure of 713-68-8 (3-PHENOXYPHENOL) Hazard Symbols Xn,Xi,C
Synonyms

Phenol,m-phenoxy- (6CI,7CI,8CI); 3-Hydroxydiphenyl ether; 3-Phenoxyphenol; NSC 57079;m-Phenoxyphenol

Article Data 34

m-Phenoxyphenol Chemical Properties

Molecule structure of m-Phenoxyphenol (CAS NO.713-68-8) :

IUPAC Name: 3-phenoxyphenol 
Molecular Weight: 186.2066 g/mol
Molecular Formula: C12H10O2 
Density: 1.175 g/cm3 
Boiling Point: 322.1 °C at 760 mmHg 
Flash Point: 142.8 °C
Index of Refraction: 1.605
Molar Refractivity: 54.57 cm3
Molar Volume: 158.4 cm3
Polarizability: 21.63 10-24 cm3
Surface Tension: 46.3 dyne/cm 
Enthalpy of Vaporization: 58.63 kJ/mol 
log P (octanol-water): 3.570 
Water Solubility: 175 mg/L 
Vapor Pressure: 6.05E-05 mm Hg 
Henry's Law Constant: 1.23E-08 atm-m3/mole 
Atmospheric OH Rate Constant: 8.92E-11 cm3/molecule-sec
XLogP3: 3.6
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 186.06808
MonoIsotopic Mass: 186.06808
Topological Polar Surface Area: 29.5
Heavy Atom Count: 14
Complexity: 164
Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)O
InChI: InChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H
InChIKey: HBUCPZGYBSEEHF-UHFFFAOYSA-N
EINECS: 211-930-3
Product Categories: Aromatic Phenols; Organic Building Blocks; Oxygen Compounds; Phenols

m-Phenoxyphenol Toxicity Data With Reference

1.    

orl-rat LD50:1211 mg/kg

    HYSAAV    Hygiene and Sanitation: English Translation of Gigiena Sanitariya. 36 (1971),293.
2.    

skn-rat LD50:2750 mg/kg

    HYSAAV    Hygiene and Sanitation: English Translation of Gigiena Sanitariya. 36 (1971),293.
3.    

orl-mus LD50:493 mg/kg

    HYSAAV    Hygiene and Sanitation: English Translation of Gigiena Sanitariya. 36 (1971),293.
4.    

orl-mam LD50:2307 mg/kg

    GISAAA    Gigiena i Sanitariya. 45 (10)(1980),16.
5.    

skn-mam LD50:1057 mg/kg

    GISAAA    Gigiena i Sanitariya. 45 (10)(1980),16.

m-Phenoxyphenol Consensus Reports

Reported in EPA TSCA Inventory.

m-Phenoxyphenol Safety Profile

Moderately toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
 

Hazard Codes: HarmfulXn, IrritantXi, CorrosiveC
Risk Statements: 22-36/37/38-34 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R34:Causes burns.
Safety Statements: 26-36-45-36/37/39-27 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S27:Take off immediately all contaminated clothing.
RIDADR: 2810
WGK Germany: 3
RTECS: SM7700000

m-Phenoxyphenol Specification

 m-Phenoxyphenol (CAS NO.713-68-8) is also called 3-Phenoxyphenol ; 4-06-00-05667 (Beilstein Handbook Reference) ; BRN 1869624 ; NSC 57079 ; Phenol, 3-phenoxy- ; Phenol, m-phenoxy- . m-Phenoxyphenol (CAS NO.713-68-8) is clear pale yellow liquid.

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