Dihydro-2-methyl-3(2H)-furanone (HCID 18522)

개요

Dihydro-2-methyl-3(2H)-furanone is a member of oxolanes.

이름 및 식별자

우선 이름: Dihydro-2-methyl-3(2H)-furanone
IUPAC: 2-methyloxolan-3-one
현지명: 메틸(2-)테트라히드로퓨란-3-온
영어명: 2-Methyltetrahydrofuran-3-one
분자식: C5H8O2
분자량: 100.12

이름 및 동의어

2-METHYLTETRAHYDROFURAN-3-ONE3188-00-93(2H)-Furanone, dihydro-2-methyl-Dihydro-2-methyl-3(2H)-furanoneDihydro-2-methyl-3-furanone2-Methyl-3-oxotetrahydrofuran2-Methyl-3-ketotetrahydrofuranFEMA No. 33732-Methyl-2H-furan-3-oneDTXSID9047677I3703CL967DTXCID7027677

이름 더 보기

메틸(2-)테트라히드로퓨란-3-온2-메틸테트라하이드로퓨란-3-온COFFEE FURANONEFEMA 3373Dihyro-2-methyl-3(2H)-furanoneBread KetoneNatural Bread Ketone

RefChem:88395221-685-42-Methyloxolan-3-one2-Methyltetrahydro-3-furanone2-Methyl tetrahydro-3-furanoneTetrahydro-2-methylfuran-3-one2-Methyl-4,5-dihydro-3(2H)-furanone2-Methyldihydrofuran-3(2H)-one

데이터베이스 식별자

CAS: 3188-00-9
PubChem CID: 18522
DTXSID: DTXSID9047677
ChEMBL: CHEMBL3188615
ChEBI: CHEBI:173339
UNII: I3703CL967
EC Number: 221-685-4
Nikkaji: J75.503F

물성

구조 계산 물성

XLogP: 0
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

FragrancesFragrance Ingredient (2-Methyltetrahydrofuran-3-one) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.180-1.185

Flavoring AgentsEU Flavoring substances

Solubility · 3건

slightly

Slightly soluble in oils

Soluble (in ethanol)

Boiling Point · 2건

138.00 to 139.00 °C. @ 760.00 mm Hg

139 °C

물리화학적 성질

끓는 점: 139 °C · 139 °C (lit.)
밀도: 1.034 g/mL · 1.034 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.429(lit.)
FEMA: 3373 · 3373 | 2-METHYLTETRAHYDROFURAN-3-ONE
인화점: 103 °F · 103 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Colorless to Yellow to Green
Specific Gravity: 1.034 · 1.034
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 달콤한 솔벤트 빵 버터 같은 견과류
냄새 유형: 빵 같은
생물학적 소스: synthetic
JECFA Number: 1448 · 1448
BRN: 1341334 · 1341334
주요 응용: 향료 및 향
InChI: 1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
InChIKey: FCWYQRVIQDNGBI-UHFFFAOYSA-N
SMILES: CC1OCCC1=O
LogP: -0.65 · -0.65
NIST: 3 · 3(2H)-Furanone, dihydro-2-methyl-(3188-00-9)
EPA: 3 · 3(2H)-Furanone, dihydro-2-methyl- (3188-00-9)

화학적 성질

2-Methyltetrahydrofuran-3-one has an odor reminiscent of wintergreen.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1664 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: 3(2H)-Furanone, dihydro-2-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 12-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/26300

3(2H)-Furanone, dihydro-2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: LU3579000
ridadr: UN 1224 3/PG 3
HS 번호: 29329990
risk_code: 10-22-36/37/38-2017/10/2
hazard_code: Xn,T,Xi
safety_code: 16-26-36/37/39-24/25-36
포장분류: III
위험 등급: 3
F 고인화성물질: 3-9
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information3(2H)-Furanone, dihydro-2-methyl-: ACTIVE

응용 분야 · 3건

개요2-Methyltetrahydrofuran-3-one has a bread, buttery topnote. May be prepared by hydrolytic decarboxylation of 2-methyl-4-carbomethoxytetrahydrofuran- 3-one; by acid-catalyzed ring closure of p-alkoxy- diazoketones.

출처Reported found as a constituent in coffee aroma; also as a volatile flavor component in roasted filbert nuts. Also reported found in guava, raisin, pineapple, onion, baked and fried potato, tomato, wheat bread, crispbread, smoked fish, cooked beef and pork, pork liver, rum, cocoa, coffee, peanuts, potato chips, passion fruit, beans, mushroom, tamarind, sweet potato, licorice, malt, dried bonito, cherimoya, okra and maté

용도2-Methyltetrahydro-3-furanone has been employed as an quorum sensing inhibitor-molecule to investigate its effect on growth and biofilm formation in Hafnia alvei.

제조 방법

By hydrolytic decarboxylation of 2-methyl-4-carbomethoxytetrahydrofuran-3-one; by acid-catalyzed ring closure of β-alkoxy-diazoketones

상·하류 제품 정보

상류 원료

1,3-Dithiane-2-ethanol, 2-(1-hydroxyethyl)-, (R)- (9CI)D-[13C5]Xylose 3-Mercapto-2-pentanone 2-Methyl-3-(methylthio)furan Thiamine chloride L-시스테인 α-아세틸-γ-부틸올락톤 3-Mercapto-2-butanone 2-Methyl-3-furanthiol

하류 제품

푸르푸랄

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [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]

枣庄九星生物科技有限公司0632-3759569 13589608009

INTATRADE GmbH+49 3493/605464 · [email protected]

연결된 노트

불러오는 중…

메틸(2-)테트라히드로퓨란-3-온

기본 정보

개요