메틸(R)-2-하이드록시-3-페닐프로피온산

methyl (2R)-2-hydroxy-3-phenylpropanoate

HCID 10986876

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 27000-00-6
표준 SMILES: COC(=O)[C@H](O)Cc1ccccc1
InChIKey: NMPPJJIBQQCOOI-SECBINFHSA-N
분자식: C10H12O3
평균 분자량: 180.2 g/mol
단동위원소 질량: 180.07864424

이름 및 식별자

우선 이름: methyl (2R)-2-hydroxy-3-phenylpropanoate
IUPAC: methyl (2R)-2-hydroxy-3-phenylpropanoate
현지명: 메틸(R)-2-하이드록시-3-페닐프로피온산
영어명: Methyl (R)-2-hydroxy-3-phenylpropionate
분자식: C10H12O3
분자량: 180.2

이름 및 동의어

27000-00-6methyl (2R)-2-hydroxy-3-phenylpropanoateDTXSID20450821RefChem:812064DTXCID70401641965-863-6(R)-Methyl 2-hydroxy-3-phenylpropanoateMethyl (R)-2-Hydroxy-3-phenylpropionateMethyl-(2R)-2-hydroxy-3-phenylpropanoateMFCD09842268Methyl D-3-Phenyllactate(R)-2-Hydroxy-3-phenylpropionic Acid Methyl Ester

이름 더 보기

메틸(R)-2-하이드록시-3-페닐프로피온산R-PLAMMethyl D-phenyllactateMethylD-3-Phenyllactate>(2R)-2-hydroxy-3-phenylbutanoateMETHYL (R)-2-HYDROXY-3-PHENYLPROPIOTEMethyl 3-phenyl-2(R)-hydroxypropionate

methyl (2R)-2-hydroxy-3-phenyl-propanoateD-3-Phenyllactic Acid Methyl EsterSCHEMBL180159AKOS015850855CS-W019028Benzenepropanoic acid, alpha-hydroxy-, methyl ester, (alphaR)-SY033769(R)-Methyl2-hydroxy-3-phenylpropanoate

데이터베이스 식별자

CAS: 27000-00-6
PubChem CID: 10986876
DTXSID: DTXSID20450821
EC Number: 965-863-6
Nikkaji: J94.144A

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 162

물리화학적 성질

녹는점: 47 to · 47.0 to 51.0 °C
끓는 점: 115 °C/3mmHg · 115°C/3mmHg(lit.)
밀도: 1.15 · 1.150
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 13 · 13.00±0.20(Predicted)
색상: 흰색에서 거의 흰색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.