1-(2-Furyl)ethanol

HCID 107243CAS 4208-64-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(O)c1ccco1
InChIKey: UABXUIWIFUZYQK-UHFFFAOYSA-N
분자식: C6H8O2
평균 분자량: 112.13 g/mol
단동위원소 질량: 112.0524295

개요

structure in first source

이름 및 식별자

우선 이름: 1-(2-Furyl)ethanol
IUPAC: 1-(furan-2-yl)ethanol
영어명: 1-(2-FURYL)ETHAN-1-OL
분자식: C6H8O2
분자량: 112.13

이름 및 동의어

1-(2-furyl)ethanolRefChem:4727804208-64-41-(furan-2-yl)ethanol1-(2-furyl)ethan-1-ol1-(Furan-2-Yl)Ethan-1-Ol1-Furan-2-yl-ethanolMethylfurfuryl alcohol(+/-)-1-(2-Furyl)ethanol2-Furanmethanol, .alpha.-methyl-MFCD00077775(S)-()-1-(2-Furyl)ethanol

이름 더 보기

alpha-methyl-2-furanmethanoA-2-FURYLETHANOL1-(FUR-2-YL)ETHANOL1-(2-Furanyl)ethanol1-(2-Furyl)-1-ethanolDL-1-(2-FURYL)ETHANOL(±)-1-(2-Furyl)ethanolFlorfenicol Impurity 36α-Methylfurfuryl alcohol

55664-77-285828-09-7( inverted exclamation markA)-1-(2-Furyl)ethanolalpha-Methylfuran-2-methanol(1R)-1-(2-furyl)ethanol(1S)-1-(2-furyl)ethanol2-Furanmethanol, methyl-1-furylethanol

데이터베이스 식별자

CAS: 4208-64-4、55664-77-2
PubChem CID: 107243
DTXSID: DTXSID30863342
EC Number: 224-130-4
Nikkaji: J28.169G

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 33.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 72.9

물리화학적 성질

녹는점: 73 · 73-74℃
끓는 점: 167 · 167-170 °C
밀도: 1.078 g/mL · 1.078 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.479
인화점: 35 ℃ · 35℃
저장 조건: 2 · 2-8°C
용해도: 클로로포름(수용성), 에틸아세테이트(약간 용해됨)
산도 계수 (pKa): 14.09 · 14.09±0.20(Predicted)
물리적 상태: 액체
색상: 무색투명~연황색
BRN: 107814 · 107814
InChI: 1S/C6H8O2/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3
InChIKey: UABXUIWIFUZYQK-UHFFFAOYSA-N
SMILES: CC(O)c1ccco1
EPA: 2 · 2-Furanmethanol, .alpha.-methyl- (4208-64-4)

화학적 성질

Clear colorless to light yellow liquid

안전 및 규제

유해성 정보

Regulatory InformationChemical: 2-Furanmethanol, .alpha.-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29321300
risk_code: 36/37/38
hazard_code: Xi
safety_code: 36/37/39-26-23
F 고인화성물질: 8-10-23
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Furanmethanol, .alpha.-methyl-: INACTIVE

응용 분야

용도1-(2-Furyl)ethanol is an intermediate in the synthesis of 2H-Furo[2,3-c]pyran-2-one derivatives of their germination-promoting activity.

일반 설명(±)-1-(2-Furyl)ethanol [(±)-2-Furyl methyl carbinol] is a furan derivative. The synthesis of 4-hydroxy-2-methylcyclopent-2-en-1-one from 2-furyl methyl carbinol has been reported.