Compound: Octabenzone
SMILES: O=C(c1c(O)cc(OCCCCCCCC)cc1)c2ccccc2
InChIKey: QUAMTGJKVDWJEQ-UHFFFAOYSA-N
Synonyms: Octabenzone, Benzophenone-12, 2-HYDROXY-4-(OCTYLOXY)BENZOPHENONE, Benzophenone 12, Benzon OO, 2-Hydroxy-4-octoxybenzophenone, Sumisorb 130, Rhodialux P, Seikalizer E, Zislizer E, Octabenzona, Carstab 700, Viosorb 130, 2-Benzoyl-5-(octyloxy)phenol, Sanduvor 3035, Aduvex 248, Uvinul 408, Uvinul M 408, 4-(Octyloxy)-2-hydroxybenzophenone, 2-Hydroxy-4-(n-octoxy)benzophenone, 4-Octoxy-2-hydroxybenzophenone, Octabenzonum, UV 531, Biosorb 130, Mark 1413, 2-Hydroxy-4-(n-octyloxy)benzophenone, 2-Benzoyl-5-octyloxyphenol, Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-, UV Absorber HOB, Lowilite 22, Octabenzone [USAN:INN], Octabenzonum [INN-Latin], Octabenzona [INN-Spanish], 4-n-Octyloxy-2-hydroxybenzophenone, UVA 1, UV 1 (ultroviolet absorber), Octabenzon, 2-Hydorxy-4-octoxybenzophenone, 2-Hydroxy-4-oktyloxybenzofenon, NSC 163400, DTXSID9027441, HSDB 5858, 2-Hydroxy-4-(octyloxy)benzophenon, (2-hydroxy-4-octoxyphenyl)-phenylmethanone, EINECS 217-421-2, 4-(n-Octyloxy)-2-hydroxybenzophenone, Hostavin ARO 8, (2-Hydroxy-4-(octyloxy)phenyl)phenylmethanone, NSC-163400, 2-Hydroxy-4-oktyloxybenzofenon [Czech], BRN 1915198, Octabenzone (USAN), Methanone, (2-hydroxy-4-(octyloxy)phenyl)phenyl-, UNII-73P3618V2E, Specta-srob UV 531, OCTABENZONE [MI], [2-Hydroxy-4-(octyloxy)phenyl]phenylmethanone, OCTABENZONE [INN], OCTABENZONE [HSDB], OCTABENZONE [USAN], UV 1 (ultraviolet absorber), DTXCID107441, 2-Hydroxy-4-(octoxy)benzophenone, 4-(Octoxy)-2-hydroxybenzophenone, EC 217-421-2, Octabenzonum (INN-Latin), Octabenzona (INN-Spanish), 217-421-2, AntiUV P, 2Benzoyl5octyloxyphenol, SpectraSorb UV 531, RefChem:167545, 2Hydorxy4octoxybenzophenone, 2Hydroxy4octoxybenzophenone, 2Hydroxy4oktyloxybenzofenon, 4Octoxy2hydroxybenzophenone, BENZON 00, 2Hydroxy4octyloxybenzophenone, 2Hydroxy4noctyloxybenzophenone, 4nOctyloxy2hydroxybenzophenone, 2Hydroxy4(noctoxy)benzophenone, 2Hydroxy4(octyloxy)benzophenon, 2Hydroxy4(octyloxy)benzophenone, 4(Octyloxy)2hydroxybenzophenone, UNII73P3618V2E, 2Hydroxy4(noctyloxy)benzophenone, BENZOPHENONE-12 [INCI], Benzophenone, 2hydroxy4(octyloxy), (2Hydroxy4(octyloxy)phenyl)phenylmethanone, Methanone, (2hydroxy4(octyloxy)phenyl)phenyl, METHANONE, (2-HYDROXY-4-(OCTYLOXY)PHENYL)PHENYL-(9CI), QUAMTGJKVDWJEQ-UHFFFAOYSA-N, 1843-05-6, (2-Hydroxy-4-(octyloxy)phenyl)(phenyl)methanone, 2-Hydroxy-4-n-octyloxybenzophenone, Chimassorb 81, Spectra-Sorb UV 531, Cyasorb UV 531, 2-Hydroxy-4-octyloxybenzophenone, Advastab 46, Benzophenone, 2-hydroxy-4-(octyloxy)-, UF 4, UV 1, Anti-UV P, 2-hydroxy-4-n-octoxybenzophenone, C21H26O3, MFCD00027327, UV-531, (2-hydroxy-4-octoxy-phenyl)-phenyl-methanone, NSC163400, 73P3618V2E, NCGC00164173-02, [2-hydroxy-4-(octyloxy)phenyl](phenyl)methanone, 2-?Hydroxy-?4-?(octyloxy)?benzophenone, CAS-1843-05-6, 2-hydroxy-4-n-octoxy benzophenone, 2-hydroxy-4-(octyloxy) benzophenone, SCHEMBL27387, MLS004734641, BIDD:ER0400, orb1705828, orb3139951, CHEMBL1977129, SCHEMBL29351273, MSK3451, CHEBI:135390, 2-hydroxy-4-n-octoxybenzo-phenone, HY-B1712, Tox21_112089, Tox21_201383, Tox21_300484, MSK3451-100A, AKOS003382208, Tox21_112089_1, DS-3360, 2-hydroxy-4-octyloxyphenyl phenyl ketone, NCGC00164173-01, NCGC00164173-03, NCGC00164173-04, NCGC00164173-05, NCGC00164173-06, NCGC00254284-01, NCGC00258934-01, 2-HYDROXY-4-OCTYLOXY-BENZOPHENONE, AC-26244, MSK3451-1000, SMR000112471, 2-Hydroxy-4-(octyloxy)benzophenone, 98%, 2-Hydroxy-4-(octyloxy)benzophenone, 99%, DB-065464, 2-Hydroxy-4-N-Octoxybenzophenone(UV-531), CS-0013713, H0288, NS00005821, ST45025670, D00441, E80428, F235535, Methanone,  2-hydroxy-4-(octyloxy)phenyl phenyl-, SR-01000940552, Q7076680, SR-01000940552-2, Methanone, {[2-hydroxy-4-(octyloxy)phenyl]phenyl-}, 2-Hydroxy-4-(octyloxy)benzophenone Solution in Acetonitrile, 1000?g/mL, 2-Hydroxy-4-(octyloxy)benzophenone Solution in Acetonitrile, 100ug/mL, Octabenzone;2-Hydroxy-4-n-octoxybenzophenone;2'-Hydroxy-4'-n-octyloxybenzophenone; 2-Hydroxy-4-(octyloxy)benzophenone; [2-Hhydroxy-4-(octyloxy)phenyl]phenylmethanone
Theoretical properties:
molecular_formula: C21H26O3
molecular_weight: 326.4 g/mol
exact_mass: 326.18819469 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 10
heavy_atom_count: 24
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals
color: Crystals
boiling_point: >300 °C decomposes
melting_point: 45-46 °C
density: 1160 kg/cu m at 20 °C
solubility: In water, <0.001 mg/L at 20 °C, pH 6 /OECD Guideline 105 (Water Solubility)/
vapor_pressure: 3.38X10-8 mm Hg at 20 °C (measured by transpiration method)
Descriptions:
pubchem: Octabenzone is a member of benzophenones.
chembl: OCTABENZONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Octabenzone (Spectra-Sorb UV 531, MPI Milestab 81) is a UV absorber/screener. It is used to protect polymers (e.g., polyethylene, polypropylene, polyvinylchloride) against damage by UV light.