Basic information
- CAS
63250-25-9- Standard SMILES
CC(C)c1ccc(C(=O)CC(=O)c2ccccc2)cc1- InChIKey
LALVCWMSKLEQMK-UHFFFAOYSA-N- Molecular formula
- C18H18O2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.13067981
Overview
causes allergic or photoallergic contact dermatitis; structure given in first source; used as a UVA filter for sunscreens
Names & identifiers
- Preferred name
- 4-Isopropyldibenzoylmethane
- IUPAC
- 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
- English name
- 1-[4-(1-methylethyl)phenyl]-3-phenylpropane-1,3-dione
- Molecular formula
- C18H18O2
- Molecular weight
- 266.33
Names & synonyms
63250-25-91,3-Propanedione, 1-[4-(1-methylethyl)phenyl]-3-phenyl-4-isopropyldibenzoylmethane5C2KI275POEusolex 8020Eusolex-80211,3-Propanedione, 1-(4-(1-methylethyl)phenyl)-3-phenyl-DTXSID8069802RefChem:792169DTXCID4043802DTXCID40390159264-043-9
Show more names
EUSOLEX8021EUSOLEX8020Contralum 8020Einecs 264-043-95-Isopropyl-di-benzoylmethaneISOPROPYLMETHOXYDIBENZOYLMETHANE1-(4-ISOPROPYLPHENYL)-3-PHENYL-1,3-PROPANDION1-(4-Isopropylphenyl)-3-phenyl-1,3-propandione
DTXSID60439337Isopropyl dibenzoylmethaneEusolex 80211-phenyl-3-[4-(propan-2-yl)phenyl]propane-1,3-dioneEusolex-80201-(4-isopropylphenyl)-3-phenylpropane-1,3-dione1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione1-(4-isopropylphenyl)-3-phenyl-1,3-propanedione
Database identifiers
- CAS
63250-25-9
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Experimental & physicochemical properties
CosmeticsUv absorber
LogP6.51
Physicochemical properties
- Boiling point
- 421.6 · 421.6±28.0 °C(Predicted)
- Density
- 1.078 · 1.078±0.06 g/cm3(Predicted)
- pka
- 9.19 · 9.19±0.12(Predicted)
- Cosmetics Ingredients Functions
- UV ABSORBER
- LogP
- 3.605 · 3.605 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 C2KI275PO · 5C2KI275PO
- EPA Substance Registry System
- 1 · 1,3-Propanedione, 1-[4-(1-methylethyl)phenyl]-3-phenyl- (63250-25-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,3-Propanedione, 1-[4-(1-methylethyl)phenyl]-3-phenyl-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Uv absorber
General Manufacturing Information1,3-Propanedione, 1-[4-(1-methylethyl)phenyl]-3-phenyl-: INACTIVE
Applications
Uses4-Isopropyl-dibenzoylmethane is an UV-A absorbing agent in sunscreen cosmetic creams, lotions, lipsticks, sun oils, etc.
Suppliers3 total
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
南京协诺生物技术有限公司025-84112752 13805181430 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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