기본 정보
- CAS
302776-68-7- 표준 SMILES
CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O- InChIKey
FDATWRLUYRHCJE-UHFFFAOYSA-N- 분자식
- C24H31NO4
- 평균 분자량
- 397.5 g/mol
- 단동위원소 질량
- 397.22530847
개요
Diethylamino hydroxybenzoyl hexyl benzoate is a member of benzophenones.
이름 및 식별자
- 우선 이름
- Hexyl 2-(4-(diethylamino)-2-hydroxybenzoyl)benzoate
- IUPAC
- hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
- 현지명
- 디에칠아미노하이드록시벤조일헥실벤조에이트
- 영어명
- Diethylamino hydroxybenzoyl hexyl benzoate
- 분자식
- C24H31NO4
- 분자량
- 397.51
이름 및 동의어
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
이름 더 보기
디에칠아미노하이드록시벤조일헥실벤조에이트DHHBUVA 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
데이터베이스 식별자
- 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
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 505
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Solubility< 0.01 mg/L
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point54, Decomposes at 314
물리화학적 성질
- 끓는 점
- 524.8 · 524.8±40.0 °C(Predicted)
- 밀도
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 20℃
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨), DMSO(약간 용해됨)
- 산도 계수 (pKa)
- 7.57 · 7.57±0.35(Predicted)
- 물리적 상태
- Solid
- 색상
- 흰색에서 노란색으로
- 수용성
- 16 μg/L · 16μg/L at 20℃
- 주요 응용
- 청소용품화장품환경음식 및 음료개인 위생 관리
- 화장품 원료 기능
- 광안정기자외선 흡수제자외선 필터
- 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℃
안전 및 규제
GHS 분류
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)
유해성 정보
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
안전 데이터
- wgk
- 1
- risk_code
- 53
- safety_code
- 61
- Hazard Classifications
- Aquatic Chronic 4
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
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.
용도 및 제조
Household ProductsInformation on 1 consumer products that contain Hexyl 2-(1-(diethylaminohydroxyphenyl)methanoyl)benzoate in the following categories is provided:
응용 분야
개요Diethylamino 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.
용도Diethylamino 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.
상·하류 제품 정보
상류 원료
공급사100 곳
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
山东天微医药科技有限公司+86-18653895227 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
福建帝盛科技股份有限公司0571-88226505 17757185101 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
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山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海凝远贸易有限公司021-54415088 13003227123 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
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TCI Europe320-37350700 · [email protected]
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TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
南京欣丰康生物科技有限公司025-84683399 13952017251 · [email protected]
Hebei Runbin Biotechnology Co. LTD13180553332 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
武汉云秀医药技术有限公司13296505463 · [email protected]
上海博熠生物医药科技有限公司021-021-54331997 18321536537 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18267553885 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
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湖北鸿鑫瑞宇精细化工有限公司13477033894 13477038394 · [email protected]
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