AG003459

70356-09-1 | 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione

AG003459

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CAS Number	70356-09-1
Catalog Number	AG003459(AGN-PC-0JKY2S)
Chemical Name	1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
EC Number	274-581-6
IUPAC Name	1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
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
InChI Key	XNEFYCZVKIDDMS-UHFFFAOYSA-N
MDL Number	MFCD00210252
Molecular Formula	C20H22O3
Molecular Weight	310.3869
NSC Number	758680
SMILES	O=C(CC(C1=CC=C(OC)C=C1)=O)C2=CC=C(C(C)(C)C)C=C2
UNII	G63QQF2NOX
Synonyms	4-tert-butyl-4'-methoxydibenzoylmethane, avobenzone, BMDBM cpd, butyl-methoxydibenzoylmethane, parsol 1789, parsol-1789, Avobenzone, 70356-09-1, Parsol 1789, Butyl methoxydibenzoylmethane, 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione, 4-tert-Butyl-4'-methoxy-dibenzoylmethane, Escalol 517, Eusolex 9020, UNII-G63QQF2NOX, Avobenzonum [INN-Latin], 1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)-1,3-propanedione, Avobenzona [INN-Spanish], HSDB 7423, 1,3-Propanedione, 1-[4-(1,1-dimethylethyl)phenyl]-3-(4-methoxyphenyl)-, EINECS 274-581-6, 4-TERT-BUTYL-4'-METHOXYDIBENZOYLMETHANE, G63QQF2NOX, 1-(4-(tert-Butyl)phenyl)-3-(4-methoxyphenyl)propane-1,3-dione, 1-(p-tert-Butylphenyl)-3-(p-methoxyphenyl)-1,3-propanedione, XNEFYCZVKIDDMS-UHFFFAOYSA-N, 1-(4-(1,1-Dimethylethyl)phenyl)-3-(4-methoxyphenyl)-1,3-propanedione, NCGC00095112-01, AK-48454, 1-(4-Methoxyphenyl)-3-(4-tert-butylphenyl)-1,3-propanedione, DSSTox_CID_24829, DSSTox_RID_80510, DSSTox_GSID_44829, 87075-14-7, Q-200661, Avobenzona, Avobenzonum, 1,3-Propanedione, 1-(4-(1,1-dimethylethyl)phenyl)-3-(4-methoxyphenyl)-, 1-(4-(1,1-Dimethylethyl)phenyl)-3-(4-methoxyphenyl)-1,3-propanedi- one, 1-(4-(1,1-Dimethylethyl)phenyl)-3-(4-methoxyphenyl)propane-1,3-dione, 1-[4-(1,1-dimethylethyl)phenyl]-3-(4-methoxyphenyl)-1,3-propanedione, Parsol A, SMR001562107, CAS-70356-09-1, Avobenzone [USAN:INN], Avobenzone [USAN:USP:INN], avobenzone(usp), 4-t-butyl-4'-methoxy-dibenzoylmethane, Spectrum_001715, BF2AVB, SpecPlus_000764, Avobenzone (USP/INN), AC1L1ABS, Spectrum2_001663, Spectrum3_000990, Spectrum4_001116, Spectrum5_001358, ACMC-209oe7, Avobenzone(Parsol 1789), Avobenzone(Parsol-1789), EC 274-581-6, AC1Q5DT1, Avobenzone (Parsol 1789), SCHEMBL15650, BSPBio_002659, KBioGR_001592, KBioSS_002195, ZINC973, MLS002695918, MLS006010050, BIDD:ER0196, DivK1c_006860, SPECTRUM1504190, Avobenzone ; 4-t-butyl-4'-methoxy-dibenzoylmethane, SPBio_001845, Avobenzone, analytical standard, CHEMBL1200522, DTXSID9044829, CTK3J0255, KBio1_001804, KBio2_002195, KBio2_004763, KBio2_007331, KBio3_001879, CHEBI:134751, HMS1922F17, HMS2093C04, HMS3655C22, HMS3715F14, Pharmakon1600-01504190, HY-B0316, Tox21_111427, Tox21_202796, ANW-35885, CCG-39080, MFCD00210252, NSC758680, s1904, AKOS015838120, Tox21_111427_1, AC-1682, AS04672, CS-2356, DB09495, NSC-758680, RL04694, KS-000000A0, NCGC00095112-02, NCGC00095112-03, NCGC00095112-04, NCGC00095112-05, NCGC00260342-01, AN-14673, AS-12797, BC215936, OR350370, SBI-0052777.P002, AB2000363, LS-170014, ST2414995, TC-124630, B3382, FT-0623334, SW219665-1, D03015, AB00053273_04, AB00053273_05, A836855, SR-05000001974, I01-2051, SR-05000001974-1, Eusolex 9020;Escalol 517;Parsol 1789;Parsol 1789, 1-(4-methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione, 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-propane-1,3-dione, Avobenzone, United States Pharmacopeia (USP) Reference Standard, Avobenzone, Pharmaceutical Secondary Standard; Certified Reference Material, Photoplex, Capital Soleil, Anthelios SX, Mixture Name, Solarom BMBM, Uvinul BMBM, NeoHeliopan 357, BMDBM cpd, butylmethoxydibenzoylmethane, parsol-1789, Parsol RTM 1789, Atropine sulfate monohydrate, butyl-methoxydibenzoylmethane, C20H22O3, ACN-S002307, CID51040, Avobenzone, 99% - 100G 100g, C20-H22-O3, CS-O-10849, 1- -3- PROPANE-1,3-DIONE, 4-methoxy-4'-tert-butyldibenzoylmethane, B2079, 4-(1 1-Dimethylethyl)-4'-methoxydibenzoylmethane, C049935, 1-(4-Methoxyphenyl)-3-(4-tert-butylphenyl)propane-1 3-dione, 1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propan-1 3-dione, 1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1 3-dione, 1-(4'-tert-Butylphenyl)-3-(4'-methoxyphenyl)propane-1 3-dione, 1,3-Propanedione, 1-[4-(1,1-dimethylethyl)phenyl] -3-(4-methoxyphenyl)-, 1,3-propanodiona, 1-[4-(1,1-dimetiletil)fenil]-3-(4-metoxifenil)-, 1-[4-(1,1-dimethylethyl)phenyl]-3-(4-methoxyphenyl)propane-1,3-dione, 1- [4- (1, 1- dimethylethyl)phenyl]- 3- (4- methoxyphenyl)propane- 1, 3- dione,

Complexity	405
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	310.157g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	310.393g/mol
Monoisotopic Mass	310.157g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

Lot Number