메틸5-메틸-2-푸로에이트

Methyl 5-methyl-2-furancarboxylate

HCID 137628CAS 2527-96-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1ccc(C)o1
InChIKey: XBYZJUMTKHUJIY-UHFFFAOYSA-N
분자식: C7H8O3
평균 분자량: 140.14 g/mol
단동위원소 질량: 140.04734412

이름 및 식별자

우선 이름: Methyl 5-methyl-2-furancarboxylate
IUPAC: methyl 5-methylfuran-2-carboxylate
현지명: 메틸5-메틸-2-푸로에이트
영어명: METHYL 5-METHYL-2-FUROATE
분자식: C7H8O3
분자량: 140.14

이름 및 동의어

methyl 5-methyl-2-furancarboxylateRefChem:817135methyl 5-methylfuran-2-carboxylate2527-96-0Methyl 5-methyl-2-furoateMFCD041163742-Furancarboxylic acid, 5-methyl-, methyl esterAKOS000295902SB61463Y102505-Methylfuran-2-carboxylic acid methyl esterMethyl5-methylfuran-2-carboxylate

이름 더 보기

메틸5-메틸-2-푸로에이트ASISCHEM D13386RARECHEM AL BF 0010METHYL 5-METHYL-2-FUROmethyl 5-methylfuro-2-ateMethyl 5-Methyl-2-furoate 97%5-Methyl-2-furoic acid methyl ester

Methyl 5-methylfuFT-0628682SCHEMBL423503SCHEMBL1505245DTXSID40179921Methyl 5-methyl-2-furoate, 97%ALBB-026666GEO-01875

데이터베이스 식별자

CAS: 2527-96-0
PubChem CID: 137628
DTXSID: DTXSID40179921
EC Number: 672-136-4
Nikkaji: J1.429.892D

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 39.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 133

물리화학적 성질

끓는 점: 85 °C · 85°C 12mm
밀도: 1.114 · 1.114
굴절률: 1.493 · 1.493
인화점: 255 °C · 255°C
저장 조건: Sealed in dry,Room Temperature
수용성: 물에 불용성.
InChI: 1S/C7H8O3/c1-5-3-4-6(10-5)7(8)9-2/h3-4H,1-2H3
InChIKey: XBYZJUMTKHUJIY-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(C)o1
LogP: 1.131 · 1.131 (est)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: NA 1993 / PGIII
HS 번호: 2932190090
risk_code: 36/37/38
safety_code: 26-36-36/37
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도Furans with suitable substituent in the 2- positions may be transformed into other systems with aromatic character with methoxylation of cyclic acetals of 1,4- dicarbonyl compounds, followed by intramolecular condensations in the acid solutions.