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Cas Database |
| Name |
1,3,5-Benzenetrimethanol,2-hydroxy- |
EINECS | 220-921-3 |
| CAS No. | 2937-61-3 | Density | 1.424 g/cm3 |
| PSA | 80.92000 | LogP | -0.13090 |
| Solubility | N/A | Melting Point |
70-75 °C(Solv: benzene (71-43-2)) |
| Formula | C9H12O4 | Boiling Point | 416.7 °C at 760 mmHg |
| Molecular Weight | 184.192 | Flash Point | 213 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
a,a',a''-Mesitylenetriol, 2-hydroxy- (7CI,8CI);a1,a3,a5-Mesitylenetriol, 2-hydroxy-(6CI);2,4,6-Trihydroxymethylphenol;2,4,6-Trimethylolphenol;2,4,6-Tris(hydroxymethyl)phenol;2-Hydroxy-1,3,5-benzenetrimethanol;2-Hydroxymesitylene-a,a',a''-triol;Phenol, 2,4,6-tris(hydroxymethyl)-;Trimethylolphenol;Tris(hydroxymethyl)phenol;2-Hydroxybenzene-1,3,5-trimethanol; |
Article Data | 16 |
1,3,5-Benzenetrimethanol,2-hydroxy- Specification
The 1,3,5-Benzenetrimethanol,2-hydroxy-, with the CAS registry number 2937-61-3, is also known as 2-Hydroxybenzene-1,3,5-trimethanol. Its EINECS number is 220-921-3. This chemical's molecular formula is C9H12O4 and molecular weight is 184.19. What's more, its systematic name is 2,4,6-Tris(hydroxymethyl)phenol.
Physical properties of 1,3,5-Benzenetrimethanol,2-hydroxy- are: (1)ACD/LogP: -2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.07; (4)ACD/LogD (pH 7.4): -2.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.78; (8)ACD/KOC (pH 7.4): 1.78; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 47.48 cm3; (15)Molar Volume: 129.3 cm3; (16)Polarizability: 18.82×10-24cm3; (17)Surface Tension: 76.8 dyne/cm; (18)Density: 1.424 g/cm3; (19)Flash Point: 213 °C; (20)Enthalpy of Vaporization: 70.64 kJ/mol; (21)Boiling Point: 416.7 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1cc(cc(c1O)CO)CO
(2)InChI: InChI=1S/C9H12O4/c10-3-6-1-7(4-11)9(13)8(2-6)5-12/h1-2,10-13H,3-5H2
(3)InChIKey: LSYXXLMBRSSBGS-UHFFFAOYSA-N
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