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| CAS No.: | 136-36-7 |
|---|---|
| Name: | RESORCINOL MONOBENZOATE |
| Article Data: | 25 |
| Molecular Structure: | |
|
|
|
| Formula: | C13H10 O3 |
| Molecular Weight: | 214.221 |
| Synonyms: | 1,3-Benzenediol,monobenzoate (9CI); Resorcinol, benzoate (6CI,7CI); Resorcinol, monobenzoate(8CI); 1,3-Benzenediol benzoate; 3-Benzoyloxyphenol; 3-Hydroxyphenyl benzoate;Eastman Inhibitor RMB; Eastman RMB; NSC 4807; RMB; Seesorb 300; m-Hydroxyphenylbenzoate |
| Density: | 1.25g/cm3 |
| Melting Point: |
133-135 °C(lit.) |
| Boiling Point: | 379.5°Cat760mmHg |
| Flash Point: | 166.2°C |
| Appearance: | white fine crystalline powder |
| Hazard Symbols: |
|
| Risk Codes: | 22-36/37/38 |
| Safety: | Poison by intraperitoneal route. Moderately toxic by ingestion. A skin and eye irritant. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS. |
| PSA: | 46.53000 |
| LogP: | 2.61140 |
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Chemistry
Molecular Structure of 3-Hydroxyphenyl benzoate (136-36-7):
EINECS: 205-241-7
IUPAC Name: (3-Hydroxyphenyl) benzoate
Molecular Formula: C13H10O3
Molecular Weight: 214.216700 g/mol
XLogP3: 3.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Canonical SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)O
InChI: InChI=1S/C13H10O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-9,14H
InChIKey: GDESWOTWNNGOMW-UHFFFAOYSA-N
Index of Refraction: 1.615
Molar Refractivity: 59.77 cm3
Molar Volume: 171.2 cm3
Surface Tension: 51.8 dyne/cm
Density: 1.25 g/cm3
Flash Point: 166.2 °C
Enthalpy of Vaporization: 65.21 kJ/mol
Boiling Point: 379.5 °C at 760 mmHg
Vapour Pressure: 2.67E-06 mmHg at 25 °C
Melting Point: 133-135 °C(lit.)
Water Solubility: 905.9 mg/L at 25 °C
Toxicity Data With Reference
| 1. | eye-rbt 5% MILD | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 46 (1957),185. | ||
| 2. | skn-gpg 500 mg MOD | KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) #906511 . | ||
| 3. | orl-rat LD50:1600 mg/kg | KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) #906511 . | ||
| 4. | ipr-rat LD50:400 mg/kg | 14CYAT Industrial Hygiene and Toxicology 2 (1963),1897. | ||
| 5. | ipr-mus LD50:710 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 46 (1957),185. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of 3-Hydroxyphenyl benzoate (136-36-7):
Hazard Codes: Xn .gif){kind=small}
Risk Statements: 22-36/37/38
22: Harmful if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
WGK Germany: 3
RTECS: VH2800000
Poison by intraperitoneal route. Moderately toxic by ingestion. A skin and eye irritant. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.
Specification
3-Hydroxyphenyl benzoate (136-36-7) is white crystalline powder, known as Resorcinol monobenzoate ; 4-09-00-00372 (Beilstein Handbook Reference) ; Benzoic acid, m-hydroxyphenyl ester ; Eastman Inhibitor RMB ; NSC 4807 ; Resorcinol monobenzoate ; 1,3-Benzenediol, 1-benzoate ; 1,3-Benzenediol, monobenzoate ; Resorcinol, monobenzoate . It is incompatible with strong oxidizing agents. When heated to decomposition, it yields Carbon monoxide, Carbon dioxide .