ChemicalBook--->CAS DataBase List--->954-16-5

954-16-5

954-16-5 Structure

954-16-5 Structure
IdentificationMore
[Name]

2,4,6-Trimethylbenzophenone
[CAS]

954-16-5
[Synonyms]

2,4,6-TRIMETHYLBENZOPHENONE
Ketone, mesityl phenyl
Mesityl phenyl ketone
Mesityl(phenyl)methanone
Mesitylene, 2-benzoyl-
Methanone, phenyl(2,4,6-trimethylphenyl)-
phenyl(2,4,6-trimethylphenyl)-methanon
phenyl(2,4,6-trimethylphenyl)-Methanone
[EINECS(EC#)]

403-150-9
[Molecular Formula]

C16H16O
[MDL Number]

MFCD02685558
[Molecular Weight]

224.3
[MOL File]

954-16-5.mol
Chemical PropertiesBack Directory
[Melting point ]

35 °C
[Boiling point ]

326.5-327 °C(Press: 777 Torr)
[density ]

1.036±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), DMSO (Slightly)
[form ]

Low-Melting Solid
[color ]

White to Off-White
[Henry's Law Constant]

3.8×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
[Cosmetics Ingredients Functions]

LIGHT STABILIZER
[InChI]

InChI=1S/C16H16O/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3
[InChIKey]

HPAFOABSQZMTHE-UHFFFAOYSA-N
[SMILES]

C(C1=CC=CC=C1)(C1=C(C)C=C(C)C=C1C)=O
[LogP]

4.560 (est)
[CAS DataBase Reference]

954-16-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzophenone, 2,4,6-trimethyl-(954-16-5)
[EPA Substance Registry System]

954-16-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xn,N
[Risk Statements ]

R22:Harmful if swallowed.
R36:Irritating to the eyes.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[TSCA ]

TSCA listed
[REACH Registrations]

Inactive
Hazard InformationBack Directory
[Uses]

2,4,6-Trimethylbenzophenone can be used for a consensus modeling for prediction of estrogenic activity of ingredients commonly used in sunscreen products.
[Synthesis Reference(s)]

Tetrahedron Letters, 40, p. 3109, 1999 DOI: 10.1016/S0040-4039(99)00476-1
Spectrum DetailBack Directory
[Spectrum Detail]

2,4,6-Trimethylbenzophenone(954-16-5)1HNMR
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