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2-Hydroxycaprylic acid

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Name

2-Hydroxycaprylic acid

EINECS 210-524-3
CAS No. 617-73-2 Density 1.046 g/cm3
PSA 57.53000 LogP 1.40230
Solubility N/A Melting Point 66-68 °C
Formula C8H16O3 Boiling Point 289 °C at 760 mmHg
Molecular Weight 160.213 Flash Point 142.8 °C
Transport Information N/A Appearance Colorless to Light Yellow Liquid /WHITE POWDER
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 617-73-2 (2-Hydroxycaprylic acid) Hazard Symbols IrritantXi
Synonyms

DL-2-Hydroxyoctanoic acid;DL-2-Hydroxycaprylic acid;NSC 189703;a-Hydroxy-n-caprylicacid;a-Hydroxycaprylic acid;a-Hydroxyoctanoic acid;2-Hydroxycaprylic acid;

Article Data 47

2-Hydroxycaprylic acid Specification

The IUPAC name of this chemical is 2-Hydroxycaprylic acid. With the CAS registry number 617-73-2 and EINECS registry number 210-524-3, it is also named as Octanoic acid,2-hydroxy-. In addition, the molecular formula is C8H16O3 and the molecular weight is 160.21. What's more, it should be stored in sealed container, and put them in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): -1.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.18; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 42.16 cm3; (15)Molar Volume: 153 cm3; (16)Polarizability: 16.71 ×10-24cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.046 g/cm3; (19)Flash Point: 142.8 °C; (20)Enthalpy of Vaporization: 61.3 kJ/mol; (21)Boiling Point: 289 °C at 760 mmHg; (22)Vapour Pressure: 0.000249 mmHg at 25°C.

Preparation of 2-Hydroxycaprylic acid: it can be prepared by 1,1-diiodo-octan-2-ol. This reaction will need reagent aq. NaOH. The reaction time is 2 days at ambient temperature. The yield is about 60%.

2-Hydroxycaprylic acid can be prepared by 1,1-diiodo-octan-2-ol

Uses of 2-Hydroxycaprylic acid: it can react with bromomethyl-benzene to get benzyl 2-hydroxyoctanoate. This reaction will need reagent triethylamine and solvent ethyl acetate. The reaction time is 7 hours by heating. The yield is about 83%.

2-Hydroxycaprylic acid can react with bromomethyl-benzene to get benzyl 2-hydroxyoctanoate.

When you are using this chemical, please be cautious about it as the following:
It 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. This material may have harm to the environment, especially to the water.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)CCCCCC
(2)InChI: InChI=1/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
(3)InChIKey: JKRDADVRIYVCCY-UHFFFAOYAG

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