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| CAS No.: | 3788-56-5 |
|---|---|
| Name: | 9-HYDROXYNONANOIC ACID |
| Article Data: | 39 |
| Molecular Structure: | |
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| Formula: | C9H18O3 |
| Molecular Weight: | 174.24 |
| Synonyms: | 9-Hydroxynonanoicacid;9-Hydroxypelargonic acid;w-Hydroxynonanoic acid; |
| Density: | 1.029g/cm3 |
| Melting Point: | 53-54℃ |
| Boiling Point: | 313.1 °C at 760 mmHg |
| Flash Point: | 157.4 °C |
| Appearance: | white to yellow chunks or low melting solid |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38-41-36 |
| Safety: | 24/25 |
| PSA: | 57.53000 |
| LogP: | 1.79400 |
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Specification
The Nonanoic acid,9-hydroxy-, with CAS registry number 3788-56-5, has the systematic name of 9-hydroxynonanoic acid. This chemical is a kind of white to yellow chunks or low melting solid. And it should be stored at the temperature of -20°C. When use this chemical, avoid contact with skin and eyes. And the chemical formula of this chemical is C9H18O3.
Physical properties of Nonanoic acid,9-hydroxy-: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): -1.17; (5)ACD/BCF (pH 5.5): 1.14; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.68; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 46.84 cm3; (15)Molar Volume: 169.2 cm3; (16)Polarizability: 18.57×10-24cm3; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.029 g/cm3; (19)Flash Point: 157.4 °C; (20)Enthalpy of Vaporization: 64.25 kJ/mol; (21)Boiling Point: 313.1 °C at 760 mmHg; (22)Vapour Pressure: 4.43E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 9-chloro-nonanoic acid. This reaction will need reagent aq. NaOH.
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Uses of Nonanoic acid,9-hydroxy-: it can be used to produce 1,11-dioxa-cycloeicosane-2,12-dione and oxecan-2-one. This reaction will need reagent benzenesulfonic acid, benzene.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCO
(2)InChI: InChI=1/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)
(3)InChIKey: AFZMICRBFKZNIH-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)
(5)Std. InChIKey: AFZMICRBFKZNIH-UHFFFAOYSA-N