methyl (2S)-3-hydroxy-2-methylpropanoate

HCID 10192563

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 80657-57-4
표준 SMILES: COC(=O)[C@@H](C)CO
InChIKey: ATCCIZURPPEVIZ-BYPYZUCNSA-N
분자식: C5H10O3
평균 분자량: 118.13 g/mol
단동위원소 질량: 118.06299418

이름 및 식별자

우선 이름: methyl (2S)-3-hydroxy-2-methylpropanoate
IUPAC: methyl (2S)-3-hydroxy-2-methylpropanoate
영어명: Methyl (S)-(+)-3-hydroxy-2-methylpropionate
분자식: C5H10O3
분자량: 118.13

이름 및 동의어

Methyl (2S)-3-hydroxy-2-methylpropanoatePropanoic acid, 3-hydroxy-2-methyl-, methyl ester, (2S)-RefChem:812181676-832-980657-57-4(S)-Methyl 3-hydroxy-2-methylpropanoateMethyl (S)-(+)-3-hydroxy-2-methylpropionateMFCD00064520(S)-(+)-3-Hydroxy-2-methylpropionic Acid Methyl Ester(S)-3-Hydroxyisobutyric acid methyl esterDTXSID80436525methyl (s)-3-hydroxy-2-methylpropanoate

이름 더 보기

(S)-Roche ester3-hydroxy-(2S)-methylpropionatemethyl beta-hydroxyisobutyrateMethyl (S)-3-hydroxyisobutanoate(+)-methyl l-β-hydroxyisobutyrateMETHYL L-(S)-3-HYDROXYISOBUTYRATEMETHYL (S)-(+)-3-HYDROXYISOBUTYRATE(S)-(+)-METHYL B-HYDROXYISOBUTYRATEMethyl-L-(S)-beta-hydroxyisobutyrate

Methyl L-(+)-.beta.-hydroxyisobutyrateH0702EN300-85296(S)-(+)-Methyl 3-hydroxy-2-methylpropionateMethyl (S)-(+)-2-methyl-3-hydroxypropionate(S)-(+)-3-Hydroxyisobutyric Acid Methyl Ester(+)-Methyl L-beta-hydroxyisobutyrateMethyl 3-hydroxy-2-methylpropanoate #

데이터베이스 식별자

CAS: 80657-57-4
PubChem CID: 10192563
DTXSID: DTXSID80436525
EC Number: 676-832-9
Nikkaji: J61.909D

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 79.7

물리화학적 성질

끓는 점: 74 °C/10 · 74 °C/10 mmHg (lit.)
밀도: 1.071 g/mL · 1.071 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.425
인화점: 178 °F · 178 °F
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 14.4 · 14.40±0.10(Predicted)
Specific Gravity: 1.07 · 1.07
색상: 무색의
수용성: 물에 불용성. 메탄올에 용해됩니다.
BRN: 1720830 · 1720830
InChI: InChI=1S/C5H10O3/c1-4(3-6)5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1
InChIKey: ATCCIZURPPEVIZ-BYPYZUCNSA-N
SMILES: C(OC)(=O)[C@@H](C)CO

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPropanoic acid, 3-hydroxy-2-methyl-, methyl ester, (2S)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: 1993
HS 번호: 29181990
risk_code: 36/37/38-20/21/22
hazard_code: Xn
safety_code: 26-36/37/39-36-24/25
포장분류: III
위험 등급: 3.2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Methyl (S)-(+)-3-hydroxy-2-methylpropionate is used as a starting material for the synthesis of dictyostatin, discodermolide and spongidepsin.

상·하류 제품 정보

상류 원료

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

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

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

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