Ethyl 4-(dimethylamino)benzoate (HCID 25127)

개요

Parbenate is a benzoate ester that is ethyl benzoate substituted by a dimethylamino group at position 4. It is an ethyl ester, a benzoate ester and a tertiary amino compound.

이름 및 식별자

우선 이름: Ethyl 4-(dimethylamino)benzoate
IUPAC: ethyl 4-(dimethylamino)benzoate
현지명: 에틸 4-(디메틸아미노)벤조에이트
영어명: Ethyl 4-dimethylaminobenzoate
분자식: C11H15NO2
분자량: 193.24

이름 및 동의어

Ethyl 4-dimethylaminobenzoate10287-53-3ParbenateEthyl 4-(dimethylamino)benzoateKayacure EPABenzoic acid, 4-(dimethylamino)-, ethyl esterGenocure EPDDarocur EBDDTXSID2044763p-Dimethylaminobenzoic acid ethyl ester829S8D3Y0XPL-EDB

이름 더 보기

에틸4-(다이메틸아미노)벤조산에틸4-(디메틸아미노)벤조산에틸4-(디메틸아미노)벤조에이트에틸4-(다이메틸아미노)벤조산(ETHYL4-(DIMETHYLAMINO)BENZOATE)에틸 4-디메틸아미노벤조산에틸다이메틸아미노벤조에이트EDBETHYL P-DIMETHYLAMINOBENZOATEp-DimethylaminobenzoatePI ED8PI-EDBAPi-EDB

DTXCID0024763CHEBI:520734-dimethylaminobenzoic acid ethyl esterRefChem:595408233-634-3N,N-DimethylbenzocaineEthyl-4-dimethylaminobenzoateSpeedcure EDB

데이터베이스 식별자

CAS: 10287-53-3
PubChem CID: 25127
DTXSID: DTXSID2044763
ChEMBL: CHEMBL3185245
ChEBI: CHEBI:52073
UNII: 829S8D3Y0X
EC Number: 233-634-3
Nikkaji: J92.469E

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 184

실험 및 물리화학적 성질

PolymersPlastics & Rubber -> Curing Agents (Aromatic)

CosmeticsPersonal care product

Physical Description · 2건

Dry Powder; Other Solid; Large Crystals

White crystalline powder; [Acros Organics MSDS]

Collision Cross Section149.3 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2044763]

물리화학적 성질

녹는점: 63 · 63-66 °C(lit.)
끓는 점: 190 · 190-191°C 14mm
밀도: 1.06 · 1.06
증기압: 0.593 Pa · 0.593Pa at 25℃
굴절률: 1.508 · 1.5080 (estimate)
인화점: 190 · 190-191°C/14mm
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 결정성 분말
산도 계수 (pKa): 2.56 · 2.56±0.12(Predicted)
색상: 흰색에서 연한 노란색
수용성: 불용성
BRN: 2210233 · 2210233
안정성: 안정적인. 환원제, 산화제, 염기, 산과 호환되지 않습니다.
화장품 원료 기능: 필름 형성제광안정기
InChI: 1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3
InChIKey: FZUGPQWGEGAKET-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccc(cc1)N(C)C
LogP: 3.2 at · 3.2 at 25℃
NIST: 4 · Benzoic acid, 4-(dimethylamino)-, ethyl ester(10287-53-3)
EPA: 4 · Benzoic acid, 4-(dimethylamino)-, ethyl ester (10287-53-3)

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 55.6% (144 of 259) of all reports.

Danger

H360 (18.5%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 259 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Benzoic acid, 4-(dimethylamino)-, ethyl ester

Benzoic acid, 4-(dimethylamino)-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 4-(dimethylamino)-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 20-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/24038

Benzoic acid, 4-(dimethylamino)-, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryMay cause irritation; [Acros Organics MSDS]

Hazard Classes and CategoriesRepr. 1B (18.5%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29224995
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
기존화학 물질: KE-13611
Hazard Classifications: Aquatic Chronic 2Repr. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

UsesUsed as a polymerization accelerator; [ChemIDplus]

U.S. Production2023: 75,000 - <100,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesNot Known or Reasonably Ascertainable

General Manufacturing Information · 2건

Printing Ink Manufacturing

Benzoic acid, 4-(dimethylamino)-, ethyl ester: ACTIVE

응용 분야 · 1건

용도Ethyl 4-dimethylaminobenzoate is employed as a photoinititator in cell encapsulation applications. It is also useful for organic synthesis. Further, it is used in UV-curing coatings and inks for the initiation of photo polymerization of unsaturated prepolymers. In addition to this, it acts as a active pharmaceutical ingredient intermediate. It can also be used as a co-initiator with camphorquinone (CQ) to form a self-adhesive composite for the fabrication of photosensitizers in dental materials.

상·하류 제품 정보

상류 원료

1-Propanone, 1-[4-(methylamino)phenyl]-에틸4-(메틸아미노)벤조에이트 4-다이메틸아미노벤조산 옥살산디에틸 1,3,5-트리옥세인 4-Bromo-N,N-dimethylaniline p-아미노안식향산에틸에스테르 트리포스겐 P-다이메틸아미노벤즈알데하이드

하류 제품

4-(디메틸아미노)-α,α-디페닐벤젠메탄올 2-[4-(dimethylamino)phenyl]propan-2-ol 에틸4-(디메틸아미노)-3-니트로벤조에이트

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

추가 설명

정의ChEBI: A benzoate ester that is ethyl benzoate substituted by a dimethylamino group at position 4.

연결된 노트

불러오는 중…

에틸 4-(디메틸아미노)벤조에이트

기본 정보

개요