CAS 1193-79-9 2-Acetyl-5-Methylfuran (HCID 14514)

개요

2-acetyl-5-methylfuran is a furan carrying acetyl and methyl substituents at the 2- and 5-positions respectively. It is a member of furans, a methyl ketone and an aromatic ketone.

이름 및 식별자

우선 이름: 2-Acetyl-5-Methylfuran
IUPAC: 1-(5-methylfuran-2-yl)ethanone
영어명: 5-Methyl-2-acetylfuran
분자식: C7H8O2
분자량: 124.14

이름 및 동의어

2-ACETYL-5-METHYLFURAN1193-79-91-(5-methylfuran-2-yl)ethanone1-(5-Methyl-2-furyl)ethanoneEthanone, 1-(5-methyl-2-furanyl)-5-Methyl-2-furylmethylketone1-(5-Methyl-2-furanyl)ethanone1-(5-Methyl-2-furyl)ethan-1-oneFuran, 2-acetyl-5-methyl-Methyl 5-methyl-2-furyl ketoneFEMA No. 36091-(5-methylfuran-2-yl)ethan-1-one

이름 더 보기

FEMA 36092-Acetyl, 5-mefuran5-Methyl-2-acetalfuran2-acetyl-5-methyl-fura2-METHYL-5-ACETYLFURAN5-Acetyl-2-methylfuran5-Methyl-Z-acetylfuran5-Methy-2-Acetyl lfuran2-ACETYL-5-METHYLFURANE

NSC-80404CHEBI:562752IY49408H2ODTXSID70152409RefChem:84981DTXCID2074900214-779-15-Methyl-2-acetylfuran

데이터베이스 식별자

CAS: 1193-79-9
PubChem CID: 14514
DTXSID: DTXSID70152409
ChEMBL: CHEMBL455506
ChEBI: CHEBI:562752
UNII: IY49408H2O
EC Number: 214-779-1
Nikkaji: J40.148J

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 30.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 120

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

FragrancesFragrance Ingredient (2-Acetyl-5-methylfuran) -> IFRA transparency List

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.065-1.074

Flavoring AgentsEU Flavoring substances

Solubility · 3건

slightly

Slightly soluble in water; Soluble in corn oil

Soluble (in ethanol)

물리화학적 성질

녹는점: 2 °C · 2 °C
끓는 점: 100 · 100-101 °C/25 mmHg (lit.)
밀도: 1.066 g/mL · 1.066 g/mL at 25 °C (lit.)
증기 밀도: 1 · >1 (vs air)
굴절률: 20 · n20/D 1.512(lit.)
FEMA: 3609 · 3609 | 2-ACETYL-5-METHYLFURAN
인화점: 176 °F · 176 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름, 메탄올(약간)에 용해됨
물리적 상태: 투명한 액체
Specific Gravity: 1.066 · 1.066
색상: 밝은 노란색에서 갈색까지
냄새: 0.1 % · 디프로필렌 글리콜 중 0.10%. 강한 곰팡내 나는 견과류 건초 코코넛 쿠마린 밀키
냄새 유형: 견과류
생물학적 소스: synthetic
수용성: 물에 약간 용해됩니다. 알코올에 용해됩니다.
JECFA Number: 1504 · 1504
BRN: 110853 · 110853
주요 응용: 청소용품화장품음식 및 음료개인 위생 관리
InChI: 1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
InChIKey: KEFJLCGVTHRGAH-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(C)o1
LogP: 0.98 · 0.98
NIST: 2 · 2-Acetyl-5-methylfuran(1193-79-9)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1594 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Ethanone, 1-(5-methyl-2-furanyl)-

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

Ethanone, 1-(5-methyl-2-furanyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
rtecs: LT8528000
ridadr: 2810
독성: mouse,LD50,oral,438mg/kg (438mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
HS 번호: 29321900
risk_code: 22
hazard_code: Xn,Xi
safety_code: 36
포장분류: III
위험 등급: 6.1(b)
위험 참고 사항: Harmful
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

응용 분야 · 3건

출처Reported found in coffee, roasted filberts, tomato juice, raisin, roasted onion, French fried potato, crispbread, smoked fatty fish, boiled/cooked beef, fried cured pork, beer, cognac, rum, malt whiskey, cocoa, black tea, wild rice (Zizania aquatuca), and squid.

용도Glucose was transformed to various furan compounds and carboxylic acids derivatives by heat treatment of autoclave such as levulinic acid, 2-acetylfuran and 2-acetyl-5-methylfuran. using 2-acetyl-5-methylfuran or 1,5-dimethyl-2-pyrrolecarbonitrile as reactants, that the formation of the 4-arylation products. Reaction of 2-acetyl-5-methylfuran 6a with 2-aminoethanol pioduced in 79% yield the aminal.

일반 설명s-cis-trans isomerism of 2-acetyl-5-methylfuran was investigated by IR and NMR spectroscopy.

상·하류 제품 정보

상류 원료

2-메틸퓨란 무수초산

하류 제품

5-(5-Methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid 2,6-Dimethyl-3-hydroxypyridine 3-(5-Methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide ,97%3-(5-Methylfuran-2-yl)-1H-pyrazole-5-carboxamide ,97%Ethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate ,97%(1R)-1-(5-Methylfuran-2-yl)ethan-1-amine 1,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazine 1-(5-메틸-2-푸릴)에탄민

공급사100 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]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

추가 설명

정의ChEBI: A furan carrying acetyl and methyl substituents at the 2- and 5-positions respectively.

화합물 노트

불러오는 중…

2-Acetyl-5-Methylfuran

기본 정보

개요