2-Acetyl-5-methylthiophene (HCID 83655)

이름 및 식별자

우선 이름: 2-Acetyl-5-methylthiophene
IUPAC: 1-(5-methylthiophen-2-yl)ethanone
영어명: 1-(5-Methyl-2-thienyl)ethan-1-one
분자식: C7H8OS
분자량: 140.2

이름 및 동의어

2-Acetyl-5-methylthiophene1-(5-methylthiophen-2-yl)ethanoneEthanone, 1-(5-methyl-2-thienyl)-1-(5-Methyl-2-thienyl)ethan-1-one1-(5-Methyl-2-thienyl)ethanone1-(5-METHYLTHIOPHEN-2-YL)ETHAN-1-ONEKetone, methyl 5-methyl-2-thienyl5-methyl-2-acetylthiopheneMethylthienylcetone2-methyl-5-acetylthiopheneMethyl 5-methyl-2-thienyl ketoneMethylthienylcetone [French]

이름 더 보기

-Methyl-5-acetylthiophene2-Acetyl-5-metylthiophene1-(5-methyl-2-thienyl)-ethanon2-Acetyl-5-methylthiophene,98%2-Acetyl-5-methylthiophene >

BRN 0110854EINECS 237-181-2UNII-2HS3I278W9Thiophene, 2-acetyl-5-methylAI3-159002HS3I278W9FEMA NO. 4643YOSDTJYMDAEEAZ-UHFFFAOYSA-

데이터베이스 식별자

CAS: 13679-74-8
PubChem CID: 83655
DTXSID: DTXSID10159932
ChEBI: CHEBI:173589
UNII: 2HS3I278W9
EC Number: 237-181-2
Nikkaji: J45.610A

물성

구조 계산 물성

XLogP: 2
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 122

물리화학적 성질

녹는점: 24 · 24-28 °C(lit.)
끓는 점: 65 · 65-67 °C1 mm Hg(lit.)
밀도: 1.106 g/mL · 1.106 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.561(lit.)
FEMA: 4643 · 4643 | 2-ACETYL-5-METHYLTHIOPHENE
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 저융점 결정질 덩어리, 분말 또는 결정
Specific Gravity: 1.119 · 1.119
색상: 흰색에서 연한 노란색
냄새: 1 % · 프로필렌 글리콜 중 1.00%. 달콤하고 매운 꿀 산사나무 아몬드 아카시아 히아신스 카라멜 그레이엄 크래커
냄새 유형: 매운
JECFA Number: 2107 · 2107
BRN: 110854 · 110854
InChI: 1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
InChIKey: YOSDTJYMDAEEAZ-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(C)s1
LogP: 2.04 · 2.04
NIST: 2 · 2-Acetyl-5-methylthiophene(13679-74-8)

화학적 성질

white to light yellow crystal powder

안전 및 규제

안전 데이터

wgk: 3
rtecs: OB4972000
ridadr: UN 3335
HS 번호: 29349990
risk_code: 20/21/22
hazard_code: Xn,Xi
safety_code: 36/37-22
위험 등급: STENCH
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2-Acetyl-5-methylthiophene may be used in the preparation of:2-ethyl-5-methylthiophene(5-methylthiophen-2-yl)glyoxal(2E)-1-(5-methylthiophen-2-yl)-3-(pyridin-3-yl)prop-2-en-1-oneethyl 3-(5-methylthiophen-2-yl)-3-oxopropanoate

일반 설명2-Acetyl-5-methylthiophene is a volatile organic compound formed during the reaction between L-cysteine and dihydroxyacetone in glycerine or triglyceride solvent system. It can be prepared by reacting 2-methylthiophene with acetic anhydride. 2-Acetyl-5-methylthiophene undergoes palladium-catalyzed cross-coupling reaction with aryl bromides to form C-4 arylated product. It reacts with 1,2-bis(5-formyl-2-methylthiophen-3-yl)cyclopentene via Aldol condensation to form a chalcone with photochromic property. The standard molar enthalpies of combustion, formation and vaporization of 2-acetyl-5-methylthiophene are 4341.9 ± 1.8kJ/mol, 158.0 ± 2.1kJ/mol and 62.0 ± 2.6kJ/mol, respectively.