Butyl 3-hydroxypropanoate supplier

Name
butyl 3-hydroxypropanoate
EINECS
CAS No. 4890-38-4
Article Data7
CAS DataBase
Density 1.008 g/cm³
Solubility
Melting Point
Formula C₇H₁₄O₃
Boiling Point 230.488 °C at 760 mmHg
Molecular Weight 146.186
Flash Point 92.734 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Hydroxypropanoic acid butyl ester;
PSA
LogP

Butyl 3-hydroxypropanoate Specification

The Propanoic acid, 3-hydroxy-, butyl ester, with the CAS registry number 4890-38-4, is also known as 3-Hydroxypropanoic acid butyl ester. This chemical's molecular formula is C₇H₁₄O₃ and molecular weight is 146.09. What's more, its systematic name is called Butyl 3-hydroxypropanoate.

Physical properties about Propanoic acid, 3-hydroxy-, butyl ester are: (1)ACD/LogP: 0.763; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 2.24; (6)ACD/BCF (pH 7.4): 2.24; (7)ACD/KOC (pH 5.5): 61.96; (8)ACD/KOC (pH 7.4): 61.96; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 37.789 cm³; (15)Molar Volume: 145.071 cm³; (16)Polarizability: 14.981×10^-24cm³; (17)Surface Tension: 34.705 dyne/cm; (18)Density: 1.008 g/cm³; (19)Flash Point: 92.734 °C; (20)Enthalpy of Vaporization: 54.303 kJ/mol; (21)Boiling Point: 230.488 °C at 760 mmHg; (22)Vapour Pressure: 0.0120 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCC)CCO
(2) InChI: InChI=1S/C7H14O3/c1-2-3-6-10-7(9)4-5-8/h8H,2-6H2,1H3
(3) InChIKey: MENWVOUYOZQBDM-UHFFFAOYSA-N

Product Name

butyl 3-hydroxypropanoate

Butyl 3-hydroxypropanoate Specification

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