Compound: 302776-68-7
SMILES: O=C(OCCCCCC)c1c(C(=O)c2c(O)cc(N(CC)CC)cc2)cccc1
InChIKey: FDATWRLUYRHCJE-UHFFFAOYSA-N
Synonyms: 302776-68-7, Hexyl 2-(4-(diethylamino)-2-hydroxybenzoyl)benzoate, Diethylamino hydroxybenzoyl hexyl benzoate, Hexyl 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoate, Benzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-, hexyl ester, ANQ870JD20, DTXSID60184370, Benzoic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)-, hexyl ester, RefChem:133468, DTXCID70106861, 443-860-6, 608-453-1, Uvinul A Plus, MFCD11616752, 2-[4-(DIETHYLAMINO)-2-HYDROXYBENZOYL]BENZOIC ACID HEXYL ESTER, C24H31NO4, 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid hexyl ester; Hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate; Uvinul A Plus; n-Hexyl 2-(4-Diethylamino-2-hydroxybenzoyl)benzoate, UNII-ANQ870JD20, SCHEMBL269491, n-Hexyl 2-(4-Diethylamino-2-hydroxybenzoyl)benzoate, hexyl 2-[4-(diethylamino)-2-hydroxy-benzoyl]benzoate, orb1307085, orb3139551, SCHEMBL29365981, SCHEMBL29375099, MSK3445, CHEBI:136006, EBC-26939, MSK3445-100A, AKOS024462406, MSK3445-1000A, DB11269, HY-109656R, SB83661, DS-18618, FD161840, PD071990, SY114446, HY-109656, CS-0033786, NS00019490, D94639, EC 443-860-6, EN300-7414270, Hexyl2-(4-(diethylamino)-2-hydroxybenzoyl)benzoate, Q5275146, Diethylamino hydroxybenzoyl hexyl benzoate (Standard), DIETHYLAMINO HYDROXYBENZOYL HEXYL BENZOATE [MI], n-hexyl 2-(4-diethylamino-2-hydroxybenzoyl)-benzoate, DIETHYLAMINO HYDROXYBENZOYL HEXYL BENZOATE [WHO-DD], HEXYL 2-(1-(DIETHYLAMINOHYDROXYPHENYL)METHANOYL)BENZOATE, Hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate, analytical standard, 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid hexyl ester Solution in Acetonitrile, 1000ug/mL, 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid hexyl ester Solution in Acetonitrile, 100ug/mL, Diethylamino Hydroxybenzoyl Hexyl Benzoate, Pharmaceutical Secondary Standard; Certified Reference Material
Theoretical properties:
molecular_formula: C24H31NO4
molecular_weight: 397.5 g/mol
exact_mass: 397.22530847 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 12
heavy_atom_count: 29
topological_polar_surface_area: 66.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 54, Decomposes at 314
solubility: < 0.01 mg/L
Descriptions:
pubchem: Diethylamino hydroxybenzoyl hexyl benzoate is a member of benzophenones.
wikipedia: Diethylamino hydroxybenzoyl hexyl benzoate (INCI) is an organic compound used in sunscreens to absorb UVA radiation. It is marketed as Parsol DHHB by DSM and as Uvinul A Plus by BASF. DHHB has an absorption maximum of 354 nm.
DHHB has excellent photostability and compatibility with other UV absorbers and other cosmetic ingredients.
The European Commission Scientific Committee on Consumer Safety (SCCS) has expressed concerns about di-n-hexyl phthalate contamination from manufacture and recommended a maximum safe level of 260 parts per million in DHHB for suncreams. They further recommended that a trace level below 1 ppm should be the target for manufacturers as the contamination is avoidable. Although DHHB is a safe sunscreen ingredient, di-n-hexyl phtalate has been on the European Chemicals Agency list of Substances of Very High Concern since 2013.