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| CAS No.: | 96937-45-0 |
|---|---|
| Name: | 4-Hydroxymethylbenzoic acid |
| Molecular Structure: | |
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| Formula: | C8H8O3 |
| Molecular Weight: | 152.15 |
| Synonyms: | 4-CARBOXYBENZYL ALCOHOL;HMBA;RARECHEM AL BO 1443;4-HYDROXYMETHYLBENZOIC ACID-OH) |
| Density: | 1.314 g/cm3 |
| Melting Point: | 182-185 °C(lit.) |
| Boiling Point: | 347.4 °C at 760 mmHg |
| Flash Point: | 178.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 57.53000 |
| LogP: | 0.87710 |
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Specification
The 4-Hydroxymethylbenzoic acid is an organic compound with the formula C8H8O3. The IUPAC name of this chemical is 4-(hydroxymethyl)benzoic acid. With the CAS registry number 96937-45-0, it is also named as Benzoic acid, 4-(hydroxymethyl)-.
Physical properties about 4-Hydroxymethylbenzoic acid are: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 5.5): -0.66; (3)ACD/LogD (pH 7.4): -2.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.49; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.6; (13)Molar Refractivity: 39.63 cm3; (14)Molar Volume: 115.7 cm3; (15)Polarizability: 15.71×10-24cm3; (16)Surface Tension: 60.5 dyne/cm; (17)Density: 1.314 g/cm3; (18)Flash Point: 178.1 °C; (19)Enthalpy of Vaporization: 62.44 kJ/mol; (20)Boiling Point: 347.4 °C at 760 mmHg; (21)Vapour Pressure: 2.03E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)CO
(2)InChI: InChI=1/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)
(3)InChIKey: WWYFPDXEIFBNKE-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)
(5)Std. InChIKey: WWYFPDXEIFBNKE-UHFFFAOYSA-N