3-(Benzyloxy)cyclobutanone supplier

Name
3-(Benzyloxy)cyclobutanone
EINECS 800-316-6
CAS No. 30830-27-4
Article Data16
CAS DataBase
Density 1.119 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂O₂
Boiling Point 284.832 °C at 760 mmHg
Molecular Weight 176.215
Flash Point 126.424 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(Benzyloxy)cyclobutanone;AC1Q6ECN;3-(Benzyl-oxy)cyclobutan-1-one;AG-F-02248;TC-069512;FT-0084475;3-Phenylmethoxycyclobutan-1-one;
PSA 26.30000
LogP 1.93470

3-(Benzyloxy)cyclobutanone Specification

The Cyclobutanone, 3-(phenylmethoxy)- with CAS registry number of 30830-27-4 is also known as 3-(Benzyloxy)cyclobutanone. The IUPAC name is 3-Phenylmethoxycyclobutan-1-one. In addition, the formula is C₁₁H₁₂O₂ and the molecular weight is 176.21.

Physical properties about Cyclobutanone, 3-(phenylmethoxy)- are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 125; (8)ACD/KOC (pH 7.4): 125; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 49.695 cm³; (14)Molar Volume: 157.527 cm³; (15)Surface Tension: 40.722 dyne/cm; (16)Density: 1.119 g/cm³; (17)Flash Point: 126.424 °C; (18)Enthalpy of Vaporization: 52.384 kJ/mol; (19)Boiling Point: 284.832 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1C(CC1=O)OCC2=CC=CC=C2
2. InChI: InChI=1S/C11H12O2/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
3. InChIKey: GPPSQLLIFNWNSB-UHFFFAOYSA-N

Product Name

3-(Benzyloxy)cyclobutanone

3-(Benzyloxy)cyclobutanone Specification

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