Avobenzone (data page)

The complete data for Avobenzone ()

General information

Chemical formula: C₂₀H₂₂O₃
Molar mass: 310.387 ^a g·mol⁻¹
Systematic name:
1-(4-methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione ^a
Synonyms:
1-(4-(1,1-dimethylethyl)phenyl)-3-(4-methoxyphenyl)-1,3-propanedione
1-(4-(1,1-dimethylethyl)phenyl)-3-(4-methoxyphenyl)propane-1,3-dione
4-tert-butyl-4'-methoxydibenzoylmethane
Butyl methoxydibenzoylmethane
Parsol 1789
Photoplex

Database data

SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC ^a
InChI=1/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3 ^a

ATC: N/A

CAS: [70356-09-1]

DrugBank: N/A

EINECS: 274-581-6 ^a

PubChem: 51040 ^a

Physical properties

Structure

Crystal data

Spectral data

UV-Vis

IR

NMR

MS

Phase behavior

Solid properties

ρ_solid: 1.037 g.cm⁻³
T_m: 80 - 85 °C

Liquid properties

Gas properties

Hazard properties

MSDS

N/A

Main hazards:

- N/A

NFPA 704

Flash point

- N/A

RTECS number:
N/A

Chemical properties

XLogP: 5.162 ^a

pI:

pK_a:

Tautomers: 3 ^a

Hydrogen bond: donor - 0 ^a; acceptor - 3 ^a

Pharmacological properties

This box:

Except where noted otherwise, data relate to Standard temperature and pressure.
Reliability of data general note.

References

^a CID 51040 from PubChem

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