디하이드로-4-메틸2(3H)-푸라논

beta-Methyl-gamma-butyrolactone

HCID 98451CAS 1679-49-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1COC(=O)C1
InChIKey: ALZLTHLQMAFAPA-UHFFFAOYSA-N
분자식: C5H8O2
평균 분자량: 100.12 g/mol
단동위원소 질량: 100.05242949

이름 및 식별자

우선 이름: beta-Methyl-gamma-butyrolactone
IUPAC: 4-methyloxolan-2-one
현지명: 디하이드로-4-메틸2(3H)-푸라논
영어명: dihydro-4-methyl 2(3H)-furanone
분자식: C5H8O2
분자량: 100.12

이름 및 동의어

1679-49-83-Methylbutyrolactone4-methyloxolan-2-oneDTXSID70862733RefChem:567910beta-methyl-gamma-butyrolactoneDTXCID60811457839-297-44-Methyldihydrofuran-2(3H)-oneDihydro-4-methyl 2(3H)-furanonedihydro-4-methyl-2(3H)-Furanone2(3H)-Furanone, dihydro-4-methyl-

이름 더 보기

디하이드로-4-메틸2(3H)-푸라논Tetrahydro-4-methylfuran-2-one4-methyltetrahydrofuran-2(3H)-one4-Methyl-4,5-dihydrofuran-2(3H)-one4-Methyl-4,5-dihydro-2(3H)-furanone

4-Methyltetrahydrofuran-2-one4-Methyldihydro-2(3H)-furanone3-Methyl-4-butanolide(S)-Dihydro-4-methylfuran-2(3H)-one3-MethylbutanolideNSC134770NSC 1347703-methyl-4-butyrolactone

데이터베이스 식별자

CAS: 1679-49-8、64190-48-3
PubChem CID: 98451
DTXSID: DTXSID70862733
ChEBI: CHEBI:173338
EC Number: 839-297-4
Nikkaji: J141.092J

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 88

실험 및 물리화학적 성질

Physical DescriptionSolid

Kovats Retention Index913；914；916；910

물리화학적 성질

끓는 점: 80 · 80-91 °C(Press: 10 Torr)
밀도: 1.04 · 1.040±0.06 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 무색
LogP: -0.27 · -0.270 (est)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H227

화학 및 산업

응용 분야

용도Dihydro-4-methyl-2(3H)-furanone (cas# 1679-49-8) was identified as an aroma contributing compound in a flavour profiling of Wild Harenna coffee beans.

공급사16 곳

艾吉析科技（上海）有限公司17717235263 · [email protected]

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]

연결된 노트

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