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1-Butanol, 3-methoxy-,1-benzoate

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Name

1-Butanol, 3-methoxy-,1-benzoate

EINECS N/A
CAS No. 6974-62-5 Density 1.04 g/cm3
PSA 35.53000 LogP 2.26840
Solubility N/A Melting Point N/A
Formula C12H16O3 Boiling Point 291.1 °C at 760 mmHg
Molecular Weight 208.2536 Flash Point 117.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6974-62-5 (3-methoxybutyl benzoate) Hazard Symbols N/A
Synonyms

1-Butanol,3-methoxy-, benzoate (9CI);NSC 15693;

 

1-Butanol, 3-methoxy-,1-benzoate Specification

The 1-Butanol, 3-methoxy-,1-benzoate, with the CAS registry number 6974-62-5, is also known as 1-Butanol,3-methoxy-, benzoate (9CI). This chemical's molecular formula is C12H16O3 and molecular weight is 208.2536. What's more, its systematic name is called 3-Methoxybutyl benzoate.

Physical properties about 1-Butanol, 3-methoxy-,1-benzoate are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.494; (8)Molar Refractivity: 58.26 cm3; (9)Molar Volume: 200 cm3; (10)Surface Tension: 35.4 dyne/cm; (11)Density: 1.04 g/cm3; (12)Flash Point: 117.7 °C; (13)Enthalpy of Vaporization: 53.06 kJ/mol; (14)Boiling Point: 291.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00198 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCC(OC)C)c1ccccc1
(2) InChI: InChI=1/C12H16O3/c1-10(14-2)8-9-15-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
(3) InChIKey: RUGMGYXXKKRBRJ-UHFFFAOYAO

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