DROMETRIZOLE TRISILOXANE CAS#: 155633-54-8; 凯望编码 (ChemWhat Code): 34491

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名DROMETRIZOLE TRISILOXANE
IUPAC Name2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol
分子结构Structure of Drometrizole Trisiloxane(Mexoryl XL) CAS 155633-54-8
CAS编号 155633-54-8
EINECS NumberNo data available
MDL NumberMFCD22373626
Beilstein Registry Number11343300
别名drometrizole trisiloxane, 2-(2H-benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)-oxy]disiloxanyl]propyl]phenol, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-(2-methyl-3-{1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl}propyl)phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]-1-disiloxanyl]propyl]phenol, silatrizole, 2-(2H-benzotriazol-2-yl)-4-methyl-6-{2-methyl-3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxyl]-disiloxanyl]-propyl}-phenol, (2-(2H-benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propyl]-phenol)
分子式C24H39N3O3Si3
分子量501.841
InChIInChI=1S/C24H39N3O3Si3/c1-18-14-20(15-19(2)17-33(9,29-31(3,4)5)30-32(6,7)8)24(28)23(16-18)27-25-21-12-10-11-13-22(21)26-27/h10-14,16,19,28H,15,17H2,1-9H3
InChI KeyHUVYTMDMDZRHBN-UHFFFAOYSA-N
Canonical SMILESn1c3ccccc3nn1c2cc(cc(c2O)CC(C)C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C)C
Patent Information
Patent IDTitlePublication Date
WO2018/104249PROCESS FOR PURIFYING OR DRYING COMPOUNDS COMPRISING 2-HYDROXYPHENYL BENZOTRIAZOLE FUNCTIONS AND SILOXANE FUNCTIONS2018
US2014/44654COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES2014
US2013/204006PROCESS FOR PREPARING 2-HYDROXYPHENYL BENZOTRIAZOLE SILOXANE COMPOUNDS2013

Physical Data

AppearanceOff-white to white powder
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available

Spectra

DROMETRIZOLE TRISILOXANE CAS#: 155633-54-8 HPLCHPLC of Drometrizole Trisiloxane(Mexoryl XL) CAS 155633-54-8
Absorption Maxima (UV/VIS), nm
344

Route of Synthesis (ROS)

Route of Synthesis (ROS) of DROMETRIZOLE TRISILOXANE CAS 155633-54-8
Route of Synthesis (ROS) of DROMETRIZOLE TRISILOXANE CAS 155633-54-8
ConditionsYield
platinum(0)-1,3-divinyl-1,1,3,3-tetramethyldisiloxane complex In ethyl acetate at 50 – 60℃; Product distribution / selectivity; Inert atmosphere; Reflux;89%
With platinum(0)-1,3-divinyl-1,1,3,3-tetramethyldisiloxane complex In ethyl acetate Solvent; Concentration; Inert atmosphere; Reflux;89%
With platinum(0)-1,3-divinyl-1,1,3,3-tetramethyldisiloxane complex In ethyl acetate at 60℃; for 6.5h; Industrial scale;

Safety and Hazards

GHS Hazard StatementsNot Classified
Precautionary Statement CodesP260, P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P314, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD
Druglikeness
Lipinski rules component
分子量501.848
logP9.055
HBA5
HBD1
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)69.4
Rotatable Bond (RotB)9
Matching Veber Rules2
Use Pattern
DROMETRIZOLE TRISILOXANE CAS#: 155633-54-8 is a chemical sunscreen agent.
DROMETRIZOLE TRISILOXANE CAS#: 155633-54-8 as ultraviolet (UV) blocker in a composition used in inhibition of the onset of light-induced immunological skin symptoms
DROMETRIZOLE TRISILOXANE CAS#: 155633-54-8 is photoprotective agent of cosmetic composition comprising an extract of Emblica officinalis, a hydroxy acid, and N-substituted aminosulfonic acid useful for the depigmentation of skin
DROMETRIZOLE TRISILOXANE CAS#: 155633-54-8 and Mexoryl SX are often used together to achieve a better synergistic sunscreen effect..
UV screening agent of composition comprising DHEA or its biological precursor or metabolic derivative useful for the pro-pigmenting human skin

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