Methyl 2-Hydroxy-2-methoxyacetate

HCID 2724791

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기본 정보

CAS: 19757-97-2
표준 SMILES: COC(=O)C(O)OC
InChIKey: OVJJVYHDJVQFSF-UHFFFAOYSA-N
분자식: C4H8O4
평균 분자량: 120.1 g/mol
단동위원소 질량: 120.04225874

이름 및 식별자

우선 이름: Methyl 2-Hydroxy-2-methoxyacetate
IUPAC: methyl 2-hydroxy-2-methoxyacetate
영어명: Methyl 2-hydroxy-2-methoxyacetate
분자식: C4H8O4
분자량: 120.1

이름 및 동의어

Methyl 2-Hydroxy-2-methoxyacetate19757-97-2OVJJVYHDJVQFSF-UHFFFAOYSA-RefChem:354290InChI=1/C4H8O4/c1-7-3(5)4(6)8-2/h3,5H,1-2H3Acetic acid, 2-hydroxy-2-methoxy-, methyl ester2-Hydroxy-2-methoxyacetic Acid Methyl EsterGMHAMethyl2-hydroxy-2-methoxyacetateMFCD00043941Glyoxylic Acid Methyl Ester Methyl HemiacetalMethyl 2-?Hydroxy-?2-?methoxyacetate, Technical Grade

이름 더 보기

Einecs 243-271-2Zolpidem Impurity 15Methyl methoxyglycolate.Methyl 2-methoxyglycolatemethyl hydroxymethoxyacetate(contains related coMpounds)

methyl 2-methoxy-2-hydroxyacetateMethyl glyoxylate methyl hemiacetalMethyl hydroxy(methoxy)acetateSCHEMBL258962SCHEMBL8878694methyl glyoxylate methylhemiacetalDTXSID80864900hydroxymethoxyaceticacidmethylester

데이터베이스 식별자

CAS: 19757-97-2
PubChem CID: 2724791
DTXSID: DTXSID80864900
Nikkaji: J208.619K

물성

구조 계산 물성

XLogP: -0.6
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 80.1

물리화학적 성질

끓는 점: 117 · 117-120 °C
밀도: 1.174 · 1.174±0.06 g/cm3(Predicted)
인화점: 67 °C · 67°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 10.97 · 10.97±0.20(Predicted)
색상: 무색
안정성: 흡습성, 수분 민감성, 휘발성
EPA: Acetic acid, hydroxymethoxy-, methyl ester (19757-97-2)

안전 및 규제

유해성 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

안전 데이터

tsca: TSCA listed
risk_code: 36/37/38-36
hazard_code: Xi
safety_code: 26-36/37/39

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetic acid, 2-hydroxy-2-methoxy-, methyl ester: ACTIVE

응용 분야

용도Methyl 2-Hydroxy-2-methoxyacetate is a chemical reagent used in pharmaceutical synthesis such as the preparation of Bryostatin 1 derivatives which act as PKC-1 inhibitors in cancer therapy.