2,4-Pentanedione,3-phenoxy- supplier

Name
3-PHENOXYPENTANE-2,4-DIONE
EINECS
CAS No. 31614-00-3
Density 1.104 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂O₃
Boiling Point 291.3 °C at 760 mmHg
Molecular Weight 192.214
Flash Point 125.7 °C
Transport Information
Appearance
Safety
Risk Codes Xn:Harmful;
Molecular Structure
Hazard Symbols R20:Harmful by inhalation.;
Synonyms 3-Phenoxy-2,4-pentanedione;3-Phenoxypentane-2,4-dione;
PSA
LogP

2,4-Pentanedione,3-phenoxy- Specification

The CAS register number of 2,4-Pentanedione,3-phenoxy- is 31614-00-3. It also can be called as 3-Phenoxy-2,4-pentanedione and the systematic name about this chemical is 3-phenoxypentane-2,4-dione. The molecular formula about this chemical is C₁₁H₁₂O₃ and the molecular weight is 192.21.

Physical properties about 2,4-Pentanedione,3-phenoxy- are: (1)ACD/LogP: 1.70; (2)ACD/LogD (pH 5.5): 1.7; (3)ACD/LogD (pH 7.4): 1.7; (4)ACD/BCF (pH 5.5): 11.57; (5)ACD/BCF (pH 7.4): 11.47; (6)ACD/KOC (pH 5.5): 200.81; (7)ACD/KOC (pH 7.4): 198.98; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 43.37 Å²; (11)Index of Refraction: 1.503; (12)Molar Refractivity: 51.48 cm³; (13)Molar Volume: 174 cm³; (14)Polarizability: 20.4x10^-24cm³; (15)Surface Tension: 37.4 dyne/cm; (16)Density: 1.104 g/cm³; (17)Flash Point: 125.7 °C; (18)Enthalpy of Vaporization: 53.07 kJ/mol; (19)Boiling Point: 291.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00197 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(Oc1ccccc1)C(=O)C)C
(2)InChI: InChI=1/C11H12O3/c1-8(12)11(9(2)13)14-10-6-4-3-5-7-10/h3-7,11H,1-2H3
(3)InChIKey: FTWCTBCQAPKVPU-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C11H12O3/c1-8(12)11(9(2)13)14-10-6-4-3-5-7-10/h3-7,11H,1-2H3
(5)Std. InChIKey: FTWCTBCQAPKVPU-UHFFFAOYSA-N

Product Name

3-PHENOXYPENTANE-2,4-DIONE

2,4-Pentanedione,3-phenoxy- Specification

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