에틸페룰레이트
Ethyl Ferulate
기본 정보
- CAS
4046-02-0- 표준 SMILES
CCOC(=O)/C=C/c1ccc(O)c(OC)c1- InChIKey
ATJVZXXHKSYELS-FNORWQNLSA-N- 분자식
- C12H14O4
- 평균 분자량
- 222.24 g/mol
개요
ethyl ferulate has been reported in Coptis japonica, Solanum nigrum, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Ethyl Ferulate
- IUPAC
- ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
- 현지명
- 에틸페룰레이트
- 영어명
- Ethyl 4-hydroxy-3-methoxycinnamate
- 분자식
- C12H14O4
- 분자량
- 222.24
이름 및 동의어
Ethyl ferulate4046-02-0Ethyl 4-hydroxy-3-methoxycinnamateethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFerulic acid, ethyl ester5B8915UELWORISTRACT EFNOMCORT EFNSC-14879DTXSID001021502RefChem:138929DTXCID801506566
이름 더 보기
에틸페룰레이트methoxycinnamateNSC 14879Natural Ethyl Ferulate4-HYDROXY-3-METHOXYCINNAMIC ACID ETHYL ESTERFeruLBBR 3222
ETHYL 4'-HYDROXY-3'-METHOXYCINNAMAT2-Propenoic Acid, 3-(4-Hydroxy-3-Methoxyphenyl)-, Ethyl223-745-5Ferulic acid ethyl esterEthyl 4'-hydroxy-3'-methoxycinnamate28028-62-8ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylateEthyl (E)-ferulate
데이터베이스 식별자
- CAS
4046-02-0- PubChem CID
- 736681
- ChEMBL
CHEMBL286796- UNII
- 5B8915UELW
- EC Number
- 223-745-5
- Nikkaji
- J217.860E、J729.906K
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 249
물리화학적 성질
- 녹는점
- 63 · 63-65 °C(lit.)
- 끓는 점
- 164 · 164-166 °C0.5 mm Hg(lit.)
- 밀도
- 1.0643 · 1.0643 (rough estimate)
- 굴절률
- 1.456 · 1.4560 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 8.88 · 8.88±0.18(Predicted)
- 색상
- 흰색에서 황백색까지
- BRN
- 2696807 · 2696807
- 안정성
- 흡습성, 감광성
- 화장품 원료 기능
- 항산화제
- InChI
- 1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+
- InChIKey
- ATJVZXXHKSYELS-FNORWQNLSA-N
- SMILES
- CCOC(=O)\C=C\c1ccc(O)c(OC)c1
- LogP
- 1.94 · 1.940 (est)
- NIST
- ethyl ferulate(4046-02-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 69 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29189900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Ferulic acid is a hydroxycinnamic acid that is abundant in plants and originally derived from giant fennel (F. communis). This naturally-occurring phenolic has antioxidant activities that provide protection against inflammation and cancer. Ferulic acid ethyl ester is a lipophilic derivative of ferulic acid, demonstrating increased ability to cross cell membranes. Ferulic acid ethyl ester has less antioxidant capacity than ferulic acid in neuronal PC12 cells (IC50 = 66.7 μM for ferulic acid ethyl ester vs. 44.6 μM for ferulic acid, 2,2-diphenyl-1-picrylhydrazyl radical scavenging). However, ferulic acid ethyl ester increases the expression of heme oxygenase-1, Hsp70, and Hsp72, providing neuroprotection against amyloid β-peptide. Moreover, ferulic acid ethyl ester (25 μM) completely prevents cytotoxicity induced by ultraviolet B irradiation of normal human epidermal melanocytes, again associated with an induced expression of heme oxygenase-1 and Hsp70.
용도Ferulic acid ethyl ester is an ethyl ester derivative of Ferulic acid (F308900), which is used as an antioxidant and food preservative.
상·하류 제품 정보
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하류 제품
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