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| CAS No.: | 713-68-8 |
|---|---|
| Name: | 3-PHENOXYPHENOL |
| Article Data: | 34 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H10 O2 |
| Molecular Weight: | 186.21 |
| Synonyms: | Phenol,m-phenoxy- (6CI,7CI,8CI); 3-Hydroxydiphenyl ether; 3-Phenoxyphenol; NSC 57079;m-Phenoxyphenol |
| Density: | 1.159 g/mL at 25 °C(lit.) |
| Melting Point: |
41-42 °C(lit.) |
| Boiling Point: |
185 °C12 mm Hg(lit.) |
| Flash Point: | >230 °F |
| Appearance: | CLEAR PALE YELLOW LIQUID |
| Hazard Symbols: |
 Xn, Xi, C
|
| Risk Codes: | R22; R36/37/38; R34 |
| Safety: | Moderately toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 29.46000 |
| LogP: | 3.18450 |
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- Total:28 Page 1 of 1 1
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Chemistry
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
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. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: 
Xn, 
Xi, 
C
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
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.