Compound: Padimate-O
SMILES: O=C(OCC(CCCC)CC)c1ccc(N(C)C)cc1
InChIKey: WYWZRNAHINYAEF-UHFFFAOYSA-N
Synonyms: Padimate-O, 2-ethylhexyl-p-dimethylaminobenzoate, RefChem:56662, 4-N,N'-dimethylamino-benzoic acid, 2-ethylhexyl ester, 21245-02-3, 2-Ethylhexyl 4-(dimethylamino)benzoate, Padimate O, 2-ETHYLHEXYL 4-DIMETHYLAMINOBENZOATE, Escalol 507, Octyl dimethyl PABA, Eusolex 6007, Arlatone UVB, Benzoic acid, 4-(dimethylamino)-, 2-ethylhexyl ester, 2-Ethylhexyl p-dimethylaminobenzoate, 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester, Uvasorb dmo, 2-Ethylhexyl-4-dimethylaminobenzoate, MFCD00017526, 2-Ethylhexyl p-(dimethylamino)benzoate, ETHYLHEXYL DIMETHYL PABA, DTXSID7029320, 2-Ethylhexyl-p-dimethyl-aminobenzoate, Z11006CMUZ, NCGC00090764-02, DTXCID109320, Radiacare Lip Balm, CAS-21245-02-3, Octyl dimethyl p-aminobenzoate, Caraloe Snow & Sun Lip Balm, Pamimate o, HSDB 7169, EINECS 244-289-3, Padimate O (USP), Arlatone UVB (TN), Photoplex (Salt/Mix), Padimate o [USAN:USP], PreSun 23 (Salt/Mix), PADIMATE O [HSDB], PADIMATE O [USAN], PADIMATE O [VANDF], PADIMATE-O [VANDF], PAMIMATE O [VANDF], UNII-Z11006CMUZ, PADIMATE O [MART.], SCHEMBL15432, PADIMATE O [USP-RS], PADIMATE O [WHO-DD], 4-(Dimethylamino)benzoic acid, 2-ethylhexyl ester, MLS001055379, (+/-)-PADIMATE O, Benzoic acid, p-(dimethylamino)-, 2-ethylhexyl ester, orb1705538, orb3139982, Padimate O, analytical standard, Radiacare Lip Balm (Salt/Mix), CHEMBL1323699, MSK3403, CHEBI:135932, PADIMATE O, (+/-)-, HMS3039F10, PADIMATE O [USP MONOGRAPH], OCTYL DIMETHYL PABA [VANDF], Tox21_111013, Tox21_202421, Tox21_303574, EBC-26412, SBB008471, 2-ethylhexyl-4-dimethylamino benzoate, AKOS015890282, MSK3403-1000A, Tox21_111013_1, 2-Ethylhexyl-4'-dimethylamino-benzoate, DB11570, FE70802, NCGC00090764-01, NCGC00090764-03, NCGC00090764-04, NCGC00257250-01, NCGC00259970-01, 2-ethylhexyl n,n-dimethyl-p-aminobenzoate, AC-13165, AS-75461, SMR000677935, Caraloe Snow & Sun Lip Balm (Salt/Mix), DB-021046, 2-ETHYL-HEXYL 4-DIMETHYLAMINOBENZOATE, D1871, NS00005726, ST50826077, 2-Ethylhexyl 4-(dimethylamino)benzoate, 98%, 2-ETHYLHEXYL 4-(DIMETYLAMINO)BENZOATE, p-Dimethylaminobenzoic acid 2-ethylhexyl ester, D05335, F71555, SBI-0654058.0001, EN300-22984143, F214776, SR-01000864568, Q6628390, SR-01000864568-2, 4-(DIMETHYLAMINO)BENZOIC ACID 2-ETHYLHEXYL ESTER [MI], Ethylhexyl dimethyl PABA Solution in Acetonitrile, 1000ug/mL, Padimate O, United States Pharmacopeia (USP) Reference Standard, Padimate O, Pharmaceutical Secondary Standard; Certified Reference Material
Theoretical properties:
molecular_formula: C17H27NO2
molecular_weight: 277.4 g/mol
exact_mass: 277.204179104 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 9
heavy_atom_count: 20
topological_polar_surface_area: 29.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Light yellow, mobile liquid
color: Light yellow, mobile liquid
density: 0.995 g/cu cm at 25 °C
solubility: Insoluble
Descriptions:
pubchem: Padimate O is a benzoate ester.
chembl: PADIMATE O is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Padimate O is an organic compound related to the water-soluble compound PABA (4-aminobenzoic acid) that is used as an ingredient in some sunscreens.  This yellowish water-insoluble oily liquid is an ester formed by the condensation of 2-ethylhexanol with dimethylaminobenzoic acid.  Other names for padimate O include 2-ethylhexyl 4-dimethylaminobenzoate, Escalol 507, octyldimethyl PABA, and OD-PABA.