메틸3-메틸-2-푸로에이트

Methyl 3-methyl-2-furoate

HCID 350231

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6141-57-7
표준 SMILES: COC(=O)c1occc1C
InChIKey: AQQYRDKMXXSIMP-UHFFFAOYSA-N
분자식: C7H8O3
평균 분자량: 140.14 g/mol
단동위원소 질량: 140.04734411

이름 및 식별자

우선 이름: Methyl 3-methyl-2-furoate
IUPAC: methyl 3-methylfuran-2-carboxylate
현지명: 메틸3-메틸-2-푸로에이트
영어명: Methyl 3-methyl-2-furoate
분자식: C7H8O3
분자량: 140.14

이름 및 동의어

Methyl 3-methyl-2-furoate6141-57-7methyl 3-methyl-2-furancarboxylateRefChem:815562228-131-0EINECS 228-131-0NSC 508754methyl 3-methylfuran-2-carboxylateMethyl 3-methylfuroateMFCD000141103-methyl-furan-2-carboxylic acid methyl esterFurancarboxylic acid, methyl-, methyl ester

이름 더 보기

메틸3-메틸-2-푸로에이트Methyl3-methyl-2-furoate,98%Methyl 3-methyl-2-furoate 96%Methyl3-Methyl-2-furancarboxylate>3-METHYLFURAN-2-CARBOXYLIC ACID METHYL ESTER

3-Methyl-2-furancarboxylic Acid Methyl Ester2-Furoic acid, 3-methyl-, methyl estermethyl-3-methyl-2-furoateNCIOpen2_0037342-Furancarboxylic acid, 3-methyl-, methyl esterSCHEMBL43076orb3030571SCHEMBL26622083

데이터베이스 식별자

CAS: 6141-57-7
PubChem CID: 350231
DTXSID: DTXSID10976969
EC Number: 228-131-0
Nikkaji: J27.226D

물성

구조 계산 물성

XLogP: 1.5
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

녹는점: 32 · 32-36 °C
끓는 점: 60 °C · 60 °C (1 mmHg)
밀도: 1.1624 · 1.1624 (rough estimate)
굴절률: 1.485 · 1.4850 (estimate)
인화점: 60 °C/1mm · 60°C/1mm
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정질 저융점 질량
색상: 하얀색
수용성: 물에 불용성.
BRN: 116835 · 116835
InChI: InChI=1S/C7H8O3/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3
InChIKey: AQQYRDKMXXSIMP-UHFFFAOYSA-N
SMILES: O1C=CC(C)=C1C(OC)=O
LogP: 1.51 · 1.510

화학적 성질

white crystalline low melting mass

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 29321900
safety_code: 24/25-22
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야

용도Methyl 3-methyl-2-furoate is an important raw material used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.It is a volatile substance in the unfermented apple pomace.

상·하류 제품 정보

상류 원료

하류 제품

3-메틸푸란 메틸3-(브로모메틸)-2-푸로에이트 3-Methylfuran-2-carboxylic acid amide

공급사92 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]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

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