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| CAS No.: | 1191-25-9 |
|---|---|
| Name: | 6-HYDROXYCAPROIC ACID |
| Article Data: | 142 |
| Molecular Structure: | |
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| Formula: | C6H12O3 |
| Molecular Weight: | 132.159 |
| Synonyms: | 6-Hydroxycaproicacid;6-Hydroxyhexanoic acid;NSC 617319;e-Hydroxycaproic acid; |
| Density: | 1.104 g/cm3 |
| Melting Point: | 38-40 °C |
| Boiling Point: | 272.6 °C at 760 mmHg |
| Flash Point: | 132.9 °C |
| Solubility: | Soluble in water. |
| Appearance: | white low melting crystalline solid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 24/25-45-36/37/39-26-23 |
| Transport Information: | UN 1760 |
| PSA: | 57.53000 |
| LogP: | 0.62370 |
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Specification
This chemical is called Hexanoic acid, 6-hydroxy-, and it can also be named as 6-Hydroxyhexanoic acid. With the molecular formula of C6H12O3, its molecular weight is 132.16. The CAS registry number of this chemical is 1191-25-9. Additionally, it should be sealed at -20 °C, away from the oxides and water.
Other characteristics of the Hexanoic acid, 6-hydroxy- can be summarised as followings: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.99; (4)ACD/LogD (pH 7.4): -2.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.89; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 32.94 cm3; (15)Molar Volume: 119.7 cm3; (16)Polarizability: 13.06×10-24cm3; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.104 g/cm3; (19)Flash Point: 132.9 °C; (20)Enthalpy of Vaporization: 59.31 kJ/mol; (21)Boiling Point: 272.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00078 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. Don't breathe vapor. Avoid contacting with skin and eyes. In case of contacting 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)CCCCCO
2.InChI: InChI=1/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)
3.InChIKey: IWHLYPDWHHPVAA-UHFFFAOYAT