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7367-87-5

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Basic Information
CAS No.: 7367-87-5
Name: methyl 3-hydroxyoctanoate
Article Data: 19
Molecular Structure:
Molecular Structure of 7367-87-5 (methyl 3-hydroxyoctanoate)
Formula: C9H18O3
Molecular Weight: 174.24
Synonyms: 3-Hydroxyoctanoicacid-methyl-ester;Methyl 3-hydroxycaprylate;Methyl 3-hydroxyoctanoate;b-Hydroxyoctanoic acid methyl ester;
EINECS: 230-917-3
Density: 0.976 g/cm3
Boiling Point: 259.9 °C at 760 mmHg
Flash Point: 102.2 °C
PSA: 46.53000
LogP: 1.49070
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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: 18.63×10-24 cm3; (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