메틸-브이-부틸로락톤

alpha-Methylbutyrolactone

HCID 98323CAS 1679-47-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1CCOC1=O
InChIKey: QGLBZNZGBLRJGS-UHFFFAOYSA-N
분자식: C5H8O2
평균 분자량: 100.12 g/mol
단동위원소 질량: 100.0524295

개요

Dihydro-3-methyl-2(3H)-furanone is a gamma-lactone.

이름 및 식별자

우선 이름: alpha-Methylbutyrolactone
IUPAC: 3-methyloxolan-2-one
현지명: 메틸-브이-부틸로락톤
영어명: alpha-Methyl-gamma-butyrolactone
분자식: C5H8O2
분자량: 100.12

이름 및 동의어

3-methyldihydrofuran-2(3H)-onealpha-Methyl-gamma-butyrolactone3-methyloxolan-2-oneDihydro-3-methyl-2(3H)-furanone2-Methylbutanolide.alpha.-Methylbutyrolactone4-Hydroxy-2-methylbutyric acid lactonealpha-Methylbutyrolactone2(3H)-Furanone, dihydro-3-methyl-2-methylbutyrolactone3-methyltetrahydrofuran-2-one.alpha.-Methyl-.gamma.-butyrolactone

이름 더 보기

메틸-브이-부틸로락톤알파-메틸-감마-뷰티로락톤2-Methyl-4-butanolideα-Methyl-γ-butyrolactone2(3H)-Furanone,dihydro-3-methyl-4,5-DIHYDRO-3-METHYL-2(3H)-FURANONE

2-Methyl-.gamma.-butyrolactone4-Hydroxy-2-methylbutanoic acid lactone140H0G0P5W3-methyldihydrofuran-2-one2-Methyl-gamma-butyrolactoneEINECS 216-846-0NSC 102837NSC-102837

데이터베이스 식별자

CAS: 1679-47-6
PubChem CID: 98323
DTXSID: DTXSID401030919
ChEMBL: CHEMBL36365
ChEBI: CHEBI:173343
UNII: 140H0G0P5W
EC Number: 216-846-0
Nikkaji: J141.781I

물성

구조 계산 물성

XLogP: 0.8
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: 88.1

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Lactones

Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

끓는 점: 78 · 78-81 °C/10 mmHg (lit.)
밀도: 1 · 1,06 g/cm3
굴절률: 20 · n20/D 1.432(lit.)
인화점: 163 °F · 163 °F
저장 조건: 2 · 2-8°C
용해도: THF: 용해 가능
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
BRN: 80418 · 80418
InChI: 1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3
InChIKey: QGLBZNZGBLRJGS-UHFFFAOYSA-N
SMILES: CC1CCOC1=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory Information2(3H)-Furanone, dihydro-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Butyrolactone.

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 2932209090
safety_code: 23-24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

응용 분야

용도ALPHA-METHYL-GAMMA-BUTYROLACTONE was used as model compound in Bracketing experiments to investigate the thermodynamically favored site of reaction of pilocarpine.

일반 설명α-Methyl-γ-butyrolactone undergoes benzylation to give racemic α-benzyl-α-methyl-γ-butyrolactone.

상·하류 제품 정보

하류 제품

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

常州帝通化工有限公司+86-0519-88298848 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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

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

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