Basic information
- Name:
Avobenzone
- CAS No.:
70356-09-1
- Molecular Structure:
- Formula:
- C20H22O3
- Molecular Weight:
- 310.39
- Deleted CAS:
- 112725-59-4|87075-14-7|185160-18-3
- Synonyms:
- 1-(4-Methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione;1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propan-1,3-dione;4-(1,1-Dimethylethyl)-4'-methoxydibenzoylmethane;4-Methoxy-4'-tert-butyldibenzoylmethane;4-tert-Butyl-4'-methoxydibenzoylmethane;1,3-Propanedione,1-[4-(1,1-dimethylethyl)phenyl]-3-(4-methoxyphenyl)-;Butylmethoxydibenzoylmethane;Escalol 517;Eusolex 9020;NeoHeliopan 357;Parsol 1789;Parsol A;Parsol RTM 1789;Photoplex;
- EINECS:
- 274-581-6
- Density:
- 1.079 g/cm3
- Melting Point:
- 81-84 °C
- Boiling Point:
- 463.6 °C at 760 mmHg
- Flash Point:
- 203.1 °C
- Appearance:
- white powder
- Hazard Symbols:
N- Risk Codes:
- 50/53
- Safety Description:
- 60-61 Details
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Chemistry
IUPAC Name: 1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
Product Categories: Organics; cosmetic raw material; UV-Absorber
Molecular Structure of Avobenzone (CAS NO.70356-09-1):
Molecular Formula: C20H22O3
Molecular Weight: 310.39 g/mol
EINECS: 274-581-6
Index of Refraction: 1.545
Surface Tension: 38.7 dyne/cm
Density: 1.079 g/cm3
Flash Point: 203.1 °C
Enthalpy of Vaporization: 72.49 kJ/mol
Boiling Point: 463.6 °C at 760 mmHg
Vapour Pressure: 8.93E-09 mmHg at 25 °C
Melting Point: 81-84 °C
Appearance: white crystal
XLogP3-AA: 4.8
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Tautomer Count: 3
Exact Mass: 310.156895
MonoIsotopic Mass: 310.156895
Topological Polar Surface Area: 43.4
Heavy Atom Count: 23
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC
InChI: InChI=1S/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
InChIKey: XNEFYCZVKIDDMS-UHFFFAOYSA-N
History
Avobenzone was patented in 1973 and was approved in the EU in 1978. It was approved by the FDA in 1988. Its use is approved world wide.
Uses
Avobenzone (CAS NO.70356-09-1) is used for whitening and sunscreen. It is also used for the protection of skin products in the production of cosmetics.
Safety Profile
Hazard Codes: 
N
Risk Statements: 50/53
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 60-61
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN3077 9/PG 3
HS Code: 29145000
Specification
Avobenzone (CAS NO.70356-09-1) is also named as 1,3-Propanedione, 1-(4-(1,1-dimethylethyl)phenyl)-3-(4-
methoxyphenyl)- ; 1-(4-(1,1-Dimethylethyl)phenyl)-3-(4-methoxyphenyl)-1,3-propanedione ; 1-(p-tert-Butylphenyl)-3-(p-methoxyphenyl)-1,3-propanedione ; Avobenzona ; Avobenzona [INN-Spanish] ; Avobenzonum ; Avobenzonum [INN-Latin] ; HSDB 7423 ; Parsol 1789 ; UNII-G63QQF2NOX . It is a dibenzoylmethane derivative. Avobenzone is sensitive to the properties of the solvent, being relatively stable in polar protic solvents and unstable in nonpolar environments. Avobenzone reacts with minerals to form colored complexes. It also reacts with boron trifluoride to form a stable crystalline complex that is highly fluorescent under UV irradiation.
