Octanoic acid,3-hydroxy-, methyl ester supplier

Name
methyl 3-hydroxyoctanoate
EINECS 230-917-3
CAS No. 7367-87-5
Article Data19
CAS DataBase
Density 0.976 g/cm³
Solubility
Melting Point
Formula C₉H₁₈O₃
Boiling Point 259.9 °C at 760 mmHg
Molecular Weight 174.24
Flash Point 102.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Hydroxyoctanoicacid-methyl-ester;Methyl 3-hydroxycaprylate;Methyl 3-hydroxyoctanoate;b-Hydroxyoctanoic acid methyl ester;
PSA 46.53000
LogP 1.49070

Octanoic acid,3-hydroxy-, methyl ester Specification

The Octanoic acid,3-hydroxy-, methyl ester, with the CAS registry number 7367-87-5, is also known as 3-Hydroxyoctanoicacid-methyl-ester. This chemical's molecular formula is C₉H₁₈O₃ and molecular weight is 174.24. What's more, its systematic name is Methyl 3-hydroxyoctanoate and its EINECS number is 230-917-3.

Physical properties of Octanoic acid,3-hydroxy-, methyl ester are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.27; (6)ACD/BCF (pH 7.4): 9.27; (7)ACD/KOC (pH 5.5): 171.29; (8)ACD/KOC (pH 7.4): 171.29; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 47.01 cm³; (15)Molar Volume: 178.4 cm³; (16)Polarizability: 18.63×10^-24cm³; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 0.976 g/cm³; (19)Flash Point: 102.2 °C; (20)Enthalpy of Vaporization: 57.79 kJ/mol; (21)Boiling Point: 259.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00184 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CC(O)CCCCC
(2)InChI: InChI=1/C9H18O3/c1-3-4-5-6-8(10)7-9(11)12-2/h8,10H,3-7H2,1-2H3
(3)InChIKey: FHWBTAQRRDZDIY-UHFFFAOYSA-N

Product Name

methyl 3-hydroxyoctanoate

Octanoic acid,3-hydroxy-, methyl ester Specification

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