alpha-Methylene butyrolactone (HCID 68352)

개요

Alpha-methylene gamma-butyrolactone is a butan-4-olide having a methylene group at the 3-position. It has a role as an anti-ulcer drug and a gastrointestinal drug.

이름 및 식별자

우선 이름: alpha-Methylene butyrolactone
IUPAC: 3-methylideneoxolan-2-one
현지명: 알파-메틸렌-감마-뷰티로락톤
영어명: Tulipalin A
분자식: C5H6O2
분자량: 98.1

이름 및 동의어

547-65-9alpha-Methylene-gamma-butyrolactoneTulipalin A3-methylideneoxolan-2-one3-Methylenedihydro-2(3H)-furanone3-methylenedihydrofuran-2(3H)-onealpha-Methylene butyrolactone2(3H)-Furanone, dihydro-3-methylene-Dihydro-3-methylene-2(3H)-furanoneSecurolidealpha-methylene gamma-butyrolactone.alpha.-Methylene butyrolactone

이름 더 보기

메틸렌(알파)-브이-부틸로락톤알파-메틸렌-감마-뷰티로락톤조팝나무가지/잎추출물튤리팔린Aα-methylene-γ-butyrolactoneTULIPANETulipalin2-METHYLENEBUTYROLACTONEα-Methylene-γ-butyrolactoneMBPD3-Methylenetetrahydrofuran-2-one

EINECS 208-931-6NSC 205367.alpha.-Methylene-.gamma.-butyrolactoneAI3-63021CHEBI:1041202-Methylenebutanolactone362Y256BOLTULIPALIN 98

데이터베이스 식별자

CAS: 547-65-9
PubChem CID: 68352
DTXSID: DTXSID2074663
ChEMBL: CHEMBL275748
ChEBI: CHEBI:104120
UNII: 362Y256BOL
EC Number: 208-931-6
Nikkaji: J100.706H

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: 115

물리화학적 성질

녹는점: 25 °C · <25 °C
끓는 점: 86 · 86-88 °C12 mm Hg(lit.)
밀도: 1.119 g/mL · 1.119 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.472(lit.)
인화점: 99 °F · 99 °F
저장 조건: 2 · 2-8°C
용해도: 물: 용해될 수 있음(lit.)
물리적 상태: 액체
색상: 투명한 무색~연한 노란색 또는 약간 분홍색
수용성: water: soluble(lit.)
Merck: 14 · 14,6062
BRN: 107939 · 107939
화장품 원료 기능: 피부 보호
InChI: 1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2
InChIKey: GSLDEZOOOSBFGP-UHFFFAOYSA-N
SMILES: C=C1CCOC1=O
NIST: «alpha»-Methylene-«gamma»-butyrolactone(547-65-9)
EPA: 2 · 2(3H)-Furanone, dihydro-3-methylene- ( (547-65-9)

화학적 성질

clear colourless to light yellow or slightly pink

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P210, P233, P240, P241, P242, P243, P261, P272, P280, P302+P352, P303+P361+P353, P321, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 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

wgk: 3
rtecs: LU3580400
ridadr: 1993
HS 번호: 29349990
risk_code: 42/43-52/53-10
hazard_code: Xn
safety_code: 23-36/37-61-45
포장분류: III
위험 등급: 3.2
F 고인화성물질: 1-8-10
Hazard Classifications: Aquatic Chronic 3Flam. Liq. 3Skin Sens. 1
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.

응용 분야

개요Tulipalin A is an unsubstituted -methylene-butyrolaetone eontained in the sap of tulips, Alstroemeria spp. (Peruvian lily) and Erythronium (dog tooth violet, fawn-lily). Tulipalin B seems to have a weak capacities to sensitize.

용도Very reactive Michael-acceptor; the α-methylene-γ-butyrolactone ring system exists in many natural products of biological interest

상·하류 제품 정보

상류 원료

공급사50 곳

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]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

추가 설명

정의ChEBI: A butan-4-olide having a methylene group at the 3-position.

연결된 노트

불러오는 중…

알파-메틸렌-감마-뷰티로락톤

기본 정보

개요