기본 정보
- CAS
3417-91-2- 표준 SMILES
COC(=O)[C@@H](N)Cc1ccc(O)cc1.Cl- InChIKey
VXYFARNRGZWHTJ-FVGYRXGTSA-N- 분자식
- C10H14ClNO3
- 평균 분자량
- 231.67 g/mol
- 단동위원소 질량
- 231.066221
이름 및 식별자
- 우선 이름
- Methyl tyrosinate hydrochloride
- IUPAC
- methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride
- 현지명
- 메틸타이로시네이트에이치씨엘
- 영어명
- Methyl L-tyrosinate hydrochloride
- 분자식
- C10H14ClNO3
- 분자량
- 231.68
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
3417-91-2- PubChem CID
- 76956
- DTXSID
DTXSID20883973- ChEMBL
CHEMBL1221906- UNII
- W42M0MI271
- EC Number
- 222-313-3
물성
구조 계산 물성
- 극성 표면적
- 72.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 188
물리화학적 성질
- 녹는점
- 192 °C · 192 °C (dec.)(lit.)
- 굴절률
- 13 ° · 13 ° (C=2, MeOH)
- 저장 조건
- 2 · 2-8°C
- 수용성
- very faint turbidity in Water
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- BRN
- 3917353 · 3917353
- 주요 응용
- 펩타이드 합성
- 화장품 원료 기능
- 헤어 컨디셔닝
- InChI
- InChI=1/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/s3
- InChIKey
- VXYFARNRGZWHTJ-OVMXBOEKNA-N
- SMILES
- C1(C=CC(O)=CC=1)C[C@H](N)C(=O)OC.Cl |&1:8,r|
- EPA
- L-Tyrosine, methyl ester, hydrochloride (3417-91-2)
화학적 성질
Crystalline
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 3.6% (3 of 83) of reports.
Warning
H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (96.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 83 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 83 reports by companies.;There are 5 notifications provided by 80 of 83 reports by companies with hazard statement code(s).;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.
유해성 정보
Regulatory Information
Chemical: L-Tyrosine, methyl ester, hydrochloride;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 05-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27402
Methyl L-tyrosinate hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
규제 정보
Regulatory Information
Chemical: L-Tyrosine, methyl ester, hydrochloride;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 05-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27402
Methyl L-tyrosinate hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29225000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
관련 반응
화합물 노트
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