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

Name
3-methoxybutyl benzoate
EINECS
CAS No. 6974-62-5
Density 1.04 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆O₃
Boiling Point 291.1 °C at 760 mmHg
Molecular Weight 208.2536
Flash Point 117.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Butanol,3-methoxy-, benzoate (9CI);NSC 15693;
PSA 35.53000
LogP 2.26840

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

Product Name

3-methoxybutyl benzoate

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

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