Avobenzone (data page)

Avobenzone (data page)

OrganicBox complete
synthetic=yes
wiki_name=Avobenzone
name=1-(4-methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione ref_N|1|a
= GENERAL INFORMATION =

C=20 | H=22 | O=3
mass=310.387 ref_N|1|a
abbreviation=


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

= DATABASES =

SMILES=CC(C)(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC ref_N|1|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 ref_N|1|a
ATC_prefix=
ATC_suffix=
ATC_supplemental=
CAS= [70356-09-1]
DrugBank=
EINECS=274-581-6 ref_N|1|a
PubChem=51040 ref_N|1|a
= PHYSICAL PROPERTIES =

--------------- Structure -------------
index_of_refraction=
abbe_number=
dielectric_constant=
magnetic_susceptibility=
dipole_moment=
------------- U-V data --------------
lambda_max=
extinction_coefficient=
------------- Infrared data --------------
absorption_bands=
------------- NMR data --------------
proton_NMR=
carbon_NMR=
other_NMR=
------------- Spectrometry data --------------
mass_spectrometry=
-------- Phase behaviour -------
delta_f_H_o=
delta_fus_H_o=
delta_fus_S_o=
triple_point_K=
triple_point_C=
triple_point_Pa=
critical_point_K=
critical_point_C=
critical_point_Pa=
------- Solid properties -------
S_o_solid=
heat_capacity_solid=
density_solid=1.037
melting_point_C=80 - 85
melting_point_F=
melting_point_K=
------- Liquid properties -------
delta_vap_H_o=
delta_vap_S_o=
S_o_liquid=
heat_capacity_liquid=
density_liquid=
viscosity_liquid=
boiling_point_C=
boiling_point_F=
boiling_point_K=
------------- Gas properties --------------
S_o_gas=
heat_capacity_gas=
viscosity_gas=
= HAZARD PROPERTIES =

MSDS=
main_hazards=
nfpa_health=
nfpa_flammability=
nfpa_reactivity=
nfpa_special=
flash_point=
r_phrases=
s_phrases=
RTECS_number=
= CHEMICAL PROPERTIES =

XLogP=5.162 ref_N|1|a
isoelectric_point=
disociation_constant=
tautomers=3 ref_N|1|a
H_bond_donor=0 ref_N|1|a
H_bond_acceptor=3 ref_N|1|a
= PHARMACOLOGICAL PROPERTIES =

bioavailability=
metabolism=
elimination_half-life=
excretion=
pregnancy_category=
legal_status=
routes_of_administration=

References


#note_N|1|a PubChemLink|51040


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