Hexyl 2-(4-(diethylamino)-2-hydroxybenzoyl)benzoate
Grundinformationen
- CAS
302776-68-7- Standard-SMILES
CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O- InChIKey
FDATWRLUYRHCJE-UHFFFAOYSA-N- Summenformel
- C24H31NO4
- Durchschnittliche Molmasse
- 397,5 g/mol
- Monoisotopische Masse
- 397,22530847
Überblick
Diethylamino hydroxybenzoyl hexyl benzoate is a member of benzophenones.
Namen und Bezeichner
- Bevorzugter Name
- Hexyl 2-(4-(diethylamino)-2-hydroxybenzoyl)benzoate
- IUPAC
- hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
- Englischer Name
- Diethylamino hydroxybenzoyl hexyl benzoate
- Summenformel
- C24H31NO4
- Molmasse
- 397.51
Namen und Synonyme
302776-68-7Diethylamino hydroxybenzoyl hexyl benzoateHexyl 2-(4-(diethylamino)-2-hydroxybenzoyl)benzoateHexyl 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoateBenzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-, hexyl esterANQ870JD20DTXSID60184370Benzoic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)-, hexyl esterRefChem:133468DTXCID70106861443-860-6608-453-1
Weitere Namen anzeigen
DHHBUVA PLUSBenzocaine Impurity 1Diethylamino Hydroxybenzoyl Hexyl BenzoatHexyl 2-(3-(diethylaMino)-2-hydroxybenzoyl)benzoateBENZOICACID,2-(4-DIETHYLAMINO)-2-HYDROXYBENZOYL)-,HEXYLESTERHexyl 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoate (This product is only available in Japan.)UVAPlus/DHHBDsunpro Dhhb
Uvinul A PlusMFCD116167522-[4-(DIETHYLAMINO)-2-HYDROXYBENZOYL]BENZOIC ACID HEXYL ESTERC24H31NO42-[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)benzoateUNII-ANQ870JD20SCHEMBL269491n-Hexyl 2-(4-Diethylamino-2-hydroxybenzoyl)benzoate
Datenbank-Bezeichner
- CAS
302776-68-7- PubChem CID
- 10111431
- DTXSID
DTXSID60184370- ChEBI
CHEBI:136006- UNII
- ANQ870JD20
- EC Number
- 443-860-6、608-453-1
- Nikkaji
- J1.746.184B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,5
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 505
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Solubility< 0.01 mg/L
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point54, Decomposes at 314
Physikochemische Eigenschaften
- Siedepunkt
- 524.8 · 524.8±40.0 °C(Predicted)
- Dichte
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly)
- pka
- 7.57 · 7.57±0.35(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Yellow
- Wasserlöslichkeit
- 16 μg/L · 16μg/L at 20℃
- Major Application
- cleaning productscosmeticsenvironmentalfood and beveragespersonal care
- Kosmetik-Inhaltsstoffe Funktionen
- LIGHT STABILIZERUV ABSORBERUV FILTER
- InChI
- InChI=1S/C24H31NO4/c1-4-7-8-11-16-29-24(28)20-13-10-9-12-19(20)23(27)21-15-14-18(17-22(21)26)25(5-2)6-3/h9-10,12-15,17,26H,4-8,11,16H2,1-3H3
- InChIKey
- FDATWRLUYRHCJE-UHFFFAOYSA-N
- SMILES
- C(OCCCCCC)(=O)C1=CC=CC=C1C(=O)C1=CC=C(N(CC)CC)C=C1O
- LogP
- 6.2 at · 6.2 at 24℃
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 66% (202 of 306) of all reports.
H413 (34%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 306 reports by companies from 5 notifications to the ECHA C&L Inventory.
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: Benzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-, hexyl ester
Status: Active Update: 04-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/29413
Benzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-, hexyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Aquatic Chronic 4 (34%)
Aquatic Chronic 4 (100%)
Hazardous to the aquatic environment (chronic) - category 4
Sicherheitsdaten
- wgk
- 1
- risk_code
- 53
- safety_code
- 61
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Aquatic Chronic 4
Chemie und Industrie
Pharmakologische Informationen
Protein BindingNo pharmacokinetic data.
Pharmacodynamics
Diethylamino hydroxybenzoyl hexyl benzoate is an organic UV filter that attenuates the exposure of UV radiation on human skin. _In vitro_, topical application of diethylamino hydroxybenzoyl hexyl benzoate exerted an anti-inflammatory effect on inflammation-evoked mouse ears by inhibiting oedema formation.
Mechanism of ActionDiethylamino hydroxybenzoyl hexyl benzoate absorbs in the UV-A range with the peak at 354 nm.
Biological Half-LifeNo pharmacokinetic data.
Metabolism/Metabolites
In steady-state and transient photolysis experiments _in vitro_, diethylamino hydroxybenzoyl hexyl benzoate may be oxidized by H2O2/UV to form degradation products. Like other UV filters, diethylamino hydroxybenzoyl hexyl benzoate may be subject to photodegradation upon absorption of UV radiation, which results in the compound passing from a ground state to either a singlet or triplet excited state.
Absorption, Distribution and Excretion
Based on the findings of a rat study assessing dermal or percutaneous absorption, only a minor amount of diethylamino hydroxybenzoyl hexyl benzoate will undergo percutaneous absorption and most of the compounds will remain in the upper layers of the stratum corneum. In rat and porcine skin, the percutaneous absorption was 0.10 ± 0.12 μg/cm^2 or 0.04 ± 0.05%.
No pharmacokinetic data.
No pharmacokinetic data.
No pharmacokinetic data.
Verwendung und Herstellung
Household ProductsInformation on 1 consumer products that contain Hexyl 2-(1-(diethylaminohydroxyphenyl)methanoyl)benzoate in the following categories is provided:
Anwendungen
BeschreibungDiethylamino hydroxybenzoyl hexyl benzoate is an organic compound belonging to the class of benzophenones, commercially used as UVA filter and is anticipated to provide reliable protection against free radicals and premature skin aging, mainly caused by shortwave UVA radiations.
VerwendenDiethylamino hydroxybenzoyl hexyl benzoate is a UV filter with high absorption in the UV-A range. Minimizing the overexposure of human skin to ultraviolet radiation that may lead to acute and chronic photodamage, diethylamino hydroxybenzoyl hexyl benzoate is an oil-soluble UV filter that may be incorporated in the oil phase of emulsions. Diethylamino hydroxybenzoyl hexyl benzoate was approved in Europe in 2005, and is also marketed in the U.S., South America, Mexico, Japan and Taiwan. It has a chemical structure similar to the classical benxophoenone drug class, and displays good photostability. It is used in concentrations up to 10% in sunscreen products, either alone or in combination with other UV absorbers.
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