2-하이드록시부탄산메틸

Methyl 2-hydroxybutanoate

HCID 520445CAS 29674-47-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC(O)C(=O)OC
InChIKey: DDMCDMDOHABRHD-UHFFFAOYSA-N
분자식: C5H10O3
평균 분자량: 118.13 g/mol
단동위원소 질량: 118.06299418

개요

Methyl 2-hydroxybutanoate has been reported in Carica papaya and Mangifera indica with data available.

이름 및 식별자

우선 이름: Methyl 2-hydroxybutanoate
IUPAC: methyl 2-hydroxybutanoate
현지명: 2-하이드록시부탄산메틸
영어명: 2-Hydroxybutanoic acid methyl ester
분자식: C5H10O3
분자량: 118.13

이름 및 동의어

Methyl 2-hydroxybutanoate29674-47-3Butanoic acid, 2-hydroxy-, methyl estermethyl 2-hydroxybutyrateButyric acid, 2-hydroxy-, methyl esterMethyl .alpha.-hydroxybutyrateDTXSID00334352Methyl alpha-hydroxybutyrateMethyl ester of 2-hydroxy-butanoic acidRefChem:157346DTXCID10285442DDMCDMDOHABRHD-UHFFFAOYSA-N

이름 더 보기

2-하이드록시부탄산메틸메틸 2-하이드록시뷰티레이트2-히드록시부탄산메틸에스테르Methyl=2-hydroxybutanoate2-Hydroxybutyric acid methyl ester2-Hydroxybutanoic acid methyl ester

MFCD00229603Methyl2-hydroxybutanoateAKOS011495898BS-12394EN300-124198F71631MHBAButanoic acid, hydroxy-, methyl ester

데이터베이스 식별자

CAS: 29674-47-3
PubChem CID: 520445
DTXSID: DTXSID00334352
EC Number: 621-533-0
Nikkaji: J101.053K

물성

구조 계산 물성

XLogP: 0.4
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: 68 °C · 68 °C(Press: 30 Torr)
밀도: 1.05 · 1.050±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 13.07 · 13.07±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H226

화학 및 산업

응용 분야 · 1건

용도Methyl 2-Hydroxybutanoate is an intermediate used in the synthesis of Bis(2-butoxyethyl) 2-(2-Hydroxybutoxy)ethyl Phosphate Triester (B415225),which is derived from Bis(2-butoxyethyl) 2-Hydroxyethyl Phosphate Triester (B415190) that is a metabolite of Tris(2-butyloxyethyl)phosphate (T875030), an organophosphate, that can be used in the preparation of flame retardant, such as viscose fiber.