Sinapic acid (HCID 10743)

개요

Sinapic acid is a matrix for matrix-assisted laser desorption technique for protein MW determination. It is also a constituent of propolis.

이름 및 식별자

우선 이름: Sinapic acid
IUPAC: 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
현지명: 시나픽애씨드
영어명: 4-Hydroxy-3,5-dimethoxycinnamic acid
분자식: C11H12O5
분자량: 224.21

이름 및 동의어

530-59-6UNII-P0I60993ECCHEBI:77131NSC-59261RefChem:50015208-487-32-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-3,5-Dimethoxy-4-hydroxycinnamic acidSinapic acid4-Hydroxy-3,5-dimethoxycinnamic acidMFCD000044013-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid

이름 더 보기

시나픽애씨드SINAPINIC ACID(E)-3-(4-hydroxy-3,5-diMethoxyphenyl)acrylic acidtrans-3,5-Dimethoxy-4-hydroxycinnamic acidNSC 59261Dimethoxy MSSynapoic acidSynapitic AcidSIMPLEXOLIN(RG)

(EZ)-sinapic acidSCHEMBL37313orb1303795DTXSID40862129WLZ4748PCMORTLOPMLEFB-UHFFFAOYSA-NHMS3372O09HAA36237

데이터베이스 식별자

CAS: 530-59-6、7362-37-0
PubChem CID: 10743
DTXSID: DTXSID40862129
EC Number: 208-487-3

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 76 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 249

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organic Acids

Flavoring AgentsEU Flavoring substances

Physical DescriptionLight yellow powder; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 202 °C · ~202 °C
끓는 점: 285.61 °C · 285.61°C (rough estimate)
밀도: 1.1478 · 1.1478 (rough estimate)
굴절률: 1.472 · 1.4720 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 2 O: · H2O: 약간 용해됨
물리적 상태: 가루
산도 계수 (pKa): 4.53 · 4.53±0.10(Predicted)
색상: 하얀색
냄새: 100 % · 100.00%. 냄새 없는
수용성: 불용성
BRN: 2130006 · 2130006
안정성: 안정적인. 강한 산화제, 강한 염기와 호환되지 않습니다. 타기 쉬운.
화장품 원료 기능: 피부 컨디셔닝
InChI: 1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+
InChIKey: PCMORTLOPMLEFB-ONEGZZNKSA-N
SMILES: COc1cc(\C=C\C(O)=O)cc(OC)c1O
LogP: 0.997 · 0.997 (est)
NIST: 4 · Cinnamic acid, 4-hydroxy-3,5-dimethoxy-(530-59-6)

화학적 성질

yellow-brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (99.5%): 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 200 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See trans-Ferulic acid.

Hazard Classes and CategoriesSkin Irrit. 2 (99.5%)

안전 데이터

wgk: 3
HS 번호: 29189900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Uses · 2건

A matrix for matrix-assisted laser desorption technique for protein MW determination; a constituent of propolis. [ChemIDplus]

Synthetic Polymer MALDI Matrix Compounds

응용 분야 · 2건

용도4-Hydroxy-3,5-dimethoxycinnamic acid is a commonly used matrix in MALDI mass spectrometry. It is a useful matrix for a wide variety of peptides and proteins. It serves well as a matrix for MALDI due to its ability to absorb laser radiation and to also donate protons (H+) to the analyte of interest.

일반 설명Sinapic acid is an hydroxycinnamic acid derivative that occurs naturally in Brassicaceae species.

상·하류 제품 정보

상류 원료

하류 제품

2,6-다이메톡시-4-메틸페놀 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (Z)-

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]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

추가 설명

정의ChEBI: A monohydroxycinnamic acid that is cinnamic acid in which the phenyl hydrogens at positions 3, 4, and 5 are replaced by methoxy, hydroxy, and methoxy groups, respectively.

연결된 노트

불러오는 중…

시나픽애씨드

기본 정보

개요