5-아세톡시메틸-2-푸랄데하이드

5-Acetoxymethyl-2-furaldehyde

HCID 66349CAS 10551-58-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)OCc1ccc(C=O)o1
InChIKey: QAVITTVTXPZTSE-UHFFFAOYSA-N
분자식: C8H8O4
평균 분자량: 168.15 g/mol
단동위원소 질량: 168.04225874

개요

a sweet taste modulator; isolated from balsamic vinegar of Modena; structure in first source

이름 및 식별자

우선 이름: 5-Acetoxymethyl-2-furaldehyde
IUPAC: (5-formylfuran-2-yl)methyl acetate
현지명: 5-아세톡시메틸-2-푸랄데하이드
영어명: 5-Acetoxymethyl-2-furaldehyde
분자식: C8H8O4
분자량: 168.15

이름 및 동의어

5-Acetoxymethyl-2-furaldehydeRefChem:53604510551-58-3(5-formylfuran-2-yl)methyl acetate5-Formylfurfuryl acetate5-Acetoxymethylfurfural5-(ACETOXYMETHYL)FURFURAL(5-Formyl-2-furyl)methyl acetateMFCD000032332-Furancarboxaldehyde, 5-[(acetyloxy)methyl]-5HH6180XYD5-acetoxymethyl-2-furanaldehyde

이름 더 보기

5-아세톡시메틸-2-푸랄데하이드5-Acetoxymehtylfurfural5-ForMyl-2-furfuryl Acetate5-Acetoxymethylfurfural >5-Formyll-2-furfuryl acetate5-acetoxymethyl-2furaladehyde5-(Acetoxymethyl)furfural (AMF)

5-ACETOXYMETHYL-2-FURFURAL5-Acetoxymethyl-2-furaldehyde, 99%AKOS0159134435-(acetyloxy) methyl-2-furancarboxaldehyde5-ACETOXYMETHYL-2-FURANCARBOXALDEHYDE2-FURANCARBOXALDEHYDE, 5-((ACETYLOXY)METHYL)-UNII-5HH6180XYDEINECS 234-137-4

데이터베이스 식별자

CAS: 10551-58-3
PubChem CID: 66349
DTXSID: DTXSID00147166
UNII: 5HH6180XYD
EC Number: 234-137-4
Nikkaji: J37.050I

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 56.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 178

물리화학적 성질

녹는점: 53 · 53-55 °C (lit.)
끓는 점: 122 °C · 122 °C / 2mmHg
밀도: 1.23 · 1.230
굴절률: 1.4611 · 1.4611 (estimate)
인화점: 226 °F · 226 °F
저장 조건: Freezer
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 크리스탈
색상: 갈색
InChI: 1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3
InChIKey: QAVITTVTXPZTSE-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(COC(C)=O)o1

화학적 성질

Off-White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29321900
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Acetoxymethyl-2-furaldehyde can be used for reduction of off-taste of vinegar.

일반 설명5-Acetoxymethyl-2-furaldehyde is a volatile flavor compound present in berrycactus. It is a potential sweet modulator compound present in traditional balsamic vinegar of Modena.