5-Hydroxy-4-octanone supplier

Name
5-Hydroxy-4-octanone
EINECS 207-830-4
CAS No. 496-77-5
Article Data51
CAS DataBase
Density 0.927 g/cm³
Solubility
Melting Point -10°C
Formula C₈H₁₆O₂
Boiling Point 187.7 °C at 760 mmHg
Molecular Weight 144.214
Flash Point 72 °C
Transport Information
Appearance yellowish liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Hydroxy-5-octanone;5-Octanol-4-one;Butyroin;NSC 1479;Octan-4-ol-5-one;
PSA 37.30000
LogP 1.51660

5-Hydroxy-4-octanone Specification

The CAS register number of 5-Hydroxy-4-octanone is 496-77-5. It also can be called as 4-Octanone, 5-hydroxy- and the IUPAC name about this chemical is (5S)-5-hydroxyoctan-4-one. The molecular formula about this chemical is C₈H₁₆O₂and the molecular weight is 144.21. It belongs to the following product categories, such as Ketone Flavor; Alphabetical Listings; Flavors and Fragrances; G-H and so on.

Physical properties about 5-Hydroxy-4-octanone are: (1)ACD/LogP: 1.69; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 26.3Å²; (6)Index of Refraction: 1.435; (7)Molar Refractivity: 40.63 cm³; (8)Molar Volume: 155.5 cm³; (9)Polarizability: 16.1x10^-24cm³; (10)Surface Tension: 31.8 dyne/cm; (11)Enthalpy of Vaporization: 49.34 kJ/mol; (12)Boiling Point: 187.7 °C at 760 mmHg; (13)Vapour Pressure: 0.172 mmHg at 25°C.

Preparation: this chemical can be prepared by butyric acid ethyl ester. This reaction will need reagent sodium and diethyl ether.

Uses of 5-Hydroxy-4-octanone: it can be used to produce octane-4,5-dione at temperature of 100 ℃. This reaction will need reagent acetic acid with reaction time of 15 min. The yield is about 64%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CCC)C(O)CCC
(2)InChI: InChI=1/C8H16O2/c1-3-5-7(9)8(10)6-4-2/h7,9H,3-6H2,1-2H3
(3)InChIKey: BVEYJWQCMOVMAR-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H16O2/c1-3-5-7(9)8(10)6-4-2/h7,9H,3-6H2,1-2H3
(5)Std. InChIKey: BVEYJWQCMOVMAR-UHFFFAOYSA-N

Product Name

5-Hydroxy-4-octanone

5-Hydroxy-4-octanone Specification

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