2-(1-(二乙氨基羟苯基)甲酰基)苯甲酸己酯

Description

hexyl 2-(1-(diethylaminohydroxyphenyl)methanoyl)benzoate · CAS 302776-68-7 · C24H31NO4. UNII ANQ870JD20. Solubility: < 0.01 mg/L; LogP: 6.2.

Identification

CAS Registry Number	302776-68-7
PubChem CID	10111431
Molecular formula	C24H31NO4
IUPAC name	hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
UNII (FDA)	ANQ870JD20

Computed Descriptors

Molecular Weight	397.5
XLogP3	6.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	397.22530847
Monoisotopic Mass	397.22530847
Topological Polar Surface Area	66.8
Heavy Atom Count	29
Formal Charge	0

Physical & Chemical Properties

Solubility	< 0.01 mg/L
LogP	6.2

Physical description & handling notes

• 54, Decomposes at 314
• 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.

Regulatory Status

GHS notification summary	66% (202 / 306)

GHS Hazard Classification

GHS notification summary	66% (202 / 306)
Reported hazard statements	H413 (34%)

Documented Uses

• Information on 1 consumer products that contain Hexyl 2-(1-(diethylaminohydroxyphenyl)methanoyl)benzoate in the following categories is provided:
• Indicated for use as a sunscreen agent.
• 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%.
• 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.
• Diethylamino hydroxybenzoyl hexyl benzoate absorbs in the UV-A range with the peak at 354 nm.

Synonyms

302776-68-7; Diethylamino hydroxybenzoyl hexyl benzoate; Hexyl 2-(4-(diethylamino)-2-hydroxybenzoyl)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

Frequently Asked Questions

What are the CAS number and molecular formula of hexyl 2-(1-(diethylaminohydroxyphenyl)methanoyl)benzoate?

CAS 302776-68-7; molecular formula C24H31NO4; molecular weight — g/mol.

What other names is hexyl 2-(1-(diethylaminohydroxyphenyl)methanoyl)benzoate known by?

302776-68-7, Diethylamino hydroxybenzoyl hexyl benzoate, Hexyl 2-(4-(diethylamino)-2-hydroxybenzoyl)benzoate, Hexyl 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoate, Benzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-, hexyl ester, ANQ870JD20.

Is hexyl 2-(1-(diethylaminohydroxyphenyl)methanoyl)benzoate classified as hazardous?

66% of GHS notifications report no hazard classification (202 of 306).

What are the key physical properties of hexyl 2-(1-(diethylaminohydroxyphenyl)methanoyl)benzoate?

Solubility: < 0.01 mg/L; LogP: 6.2.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.