기본 정보
- CAS
884-35-5- 표준 SMILES
COC(=O)c1cc(OC)c(O)c(OC)c1- InChIKey
ZMXJAEGJWHJMGX-UHFFFAOYSA-N- 분자식
- C10H12O5
- 평균 분자량
- 212.2 g/mol
- 단동위원소 질량
- 212.06847348
이름 및 식별자
- 우선 이름
- Methyl Syringate
- IUPAC
- methyl 4-hydroxy-3,5-dimethoxybenzoate
- 현지명
- 메틸 4-하이드록시-3,5-다이메톡시벤조산
- 영어명
- Methyl syringate
- 분자식
- C10H12O5
- 분자량
- 212.2
이름 및 동의어
Methyl syringate884-35-5Methyl 4-hydroxy-3,5-dimethoxybenzoateBenzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl estermethyl 4-hydroxy-3,5-dimethoxy-benzoateW5A196MP8ACHEBI:45820DTXSID00237016NSC-16946RefChem:158027DTXCID00159507429-050-5
이름 더 보기
메틸 4-하이드록시-3,5-다이메톡시벤조산Methyl eugenateMethyl siringatemethyl syringoateRARECHEM AL BF 0102Methyl syringate 98%Methyl syringate, 98+%Syringic acid monomethyl esterMethyl syringate, 10 mM in DMSOMethyl syringate ISO 9001：2015 REACH
618-163-7Methyl 3,5-dimethoxy-4-hydroxybenzoateSyringic acid methyl esterMFCD00017199SBB016976AI3-36426bmse010225NOVOPRIME F 258
데이터베이스 식별자
- CAS
884-35-5- PubChem CID
- 70164
- DTXSID
DTXSID00237016- ChEMBL
CHEMBL1651039- ChEBI
CHEBI:45820- UNII
- W5A196MP8A
- EC Number
- 429-050-5、618-163-7
- Nikkaji
- J356.639K
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 65 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 204
실험 및 물리화학적 성질
Kovats Retention Index
1725；1707.4
1744；1744；1744；1780
2957；2957；2933
물리화학적 성질
- 녹는점
- 103 · 103-107 °C
- 끓는 점
- 312.03 °C · 312.03°C (rough estimate)
- 밀도
- 1.3006 · 1.3006 (rough estimate)
- 굴절률
- 1.514 · 1.5140 (estimate)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 8.38 · 8.38±0.23(Predicted)
- 색상
- 하얀색
- 수용성
- 알코올, 에테르에 용해되며 물에 약간 용해됩니다.
- BRN
- 2217524 · 2217524
- LogP
- 1.1 · 1.100 (est)
- NIST
- 4 · Benzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl ester(884-35-5)
화학적 성질
BEIGE POWDER
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
유해성 정보
Regulatory Information
Status: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25976；Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9303
Benzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Eye Irrit. 2 (100%)
Skin Irrit. 2 (25%)；Eye Irrit. 2 (50%)
규제 정보
Regulatory Information
Status: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25976；Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9303
Benzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
화학 및 산업
응용 분야
용도Methyl Syringate is used in studies of volatile compound and sensorial characterization of red wine aged in cherry, chestnut, false acacia, ash and oak wood barrels
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
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