2,5-Dimethylthiophene (HCID 12514)

개요

2,5-Dimethylthiophene is a member of thiophenes.

이름 및 식별자

우선 이름: 2,5-Dimethylthiophene
IUPAC: 2,5-dimethylthiophene
현지명: 2,5-디메틸티오펜
영어명: 2,5-Dimethylthiophene
분자식: C6H8S
분자량: 112.19

이름 및 동의어

2,5-DIMETHYLTHIOPHENE638-02-8Thiophene, 2,5-dimethyl-2,5-dimethyl-thiopheneMFCD000054522,5-dimethyl thiopheneV6DDX6WB12NSC-60689UNII-V6DDX6WB12NSC60689EINECS 211-313-92,5 Dimethylthiophene

이름 더 보기

2,5-디메틸티오펜2,5-티오센2,5-다이메틸싸이오페네2,5-Thioxene2,5-DIMETHYTHIOPHENE2,5-Dimethylthiophene >2 5-DIMETHYLTHIOPHENE 98+%2,5-DIMETHYLTHIOPHENE, 98.5%2,5-Dimethylthiophene, 98.50%2,5-Dimethylthiophene USP/EP/BP2,5-DiMethylthiophene, 98.5% 25ML

Thiophene,5-dimethyl-SCHEMBL64283SCHEMBL126080SCHEMBL127992SCHEMBL1801431SCHEMBL3197397SCHEMBL3927968DTXSID2074295

데이터베이스 식별자

CAS: 638-02-8
PubChem CID: 12514
DTXSID: DTXSID2074295
ChEBI: CHEBI:167073
UNII: V6DDX6WB12
EC Number: 211-313-9
Nikkaji: J3.189.985K、J6.920E

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 28.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 53.2

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Thiophenes

SpringerMaterials PropertiesSchoenflies notation

Flavoring AgentsEU Flavoring substances

Boiling Point135.00 °C. @ 760.00 mm Hg

Melting Point-62.6 °C

Vapor Pressure3.0 [mmHg]

물리화학적 성질

녹는점: -63 °C · -63°C
끓는 점: 134 °C/740 · 134 °C/740 mmHg (lit.)
밀도: 0.985 g/mL · 0.985 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.512(lit.)
인화점: 75 °F · 75 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 액체
Specific Gravity: 0.985 · 0.985
색상: 무색투명~미황색
냄새: 0.1 % · 프로필렌 글리콜 중 0.10%. 견과류 유황
냄새 유형: 유황의
생물학적 소스: synthetic
수용성: 물에 불용성. 알코올, 에테르, 벤젠에 용해됩니다.
BRN: 106450 · 106450
Henry's Law Constant: 3.7 · 3.7×10-3 mol/(m3Pa) at 25℃, Mazza (1980)
주요 응용: 향료 및 향
InChI: 1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
InChIKey: GWQOOADXMVQEFT-UHFFFAOYSA-N
SMILES: Cc1ccc(C)s1
LogP: 2.523 · 2.523 (est)
NIST: 2 · Thiophene, 2,5-dimethyl-(638-02-8)
EPA: 2 · 2,5-Dimethylthiophene (638-02-8)

화학적 성질

clear colorless to slightly yellow liquid

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 1427 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Thiophene, 2,5-dimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

2,5-Dimethylthiophene: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; Harmful by inhalation; [Alfa Aesar MSDS] See Thiophene.

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

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 29349990
risk_code: 10-37-20/22
hazard_code: Xn,F,Xi
safety_code: 23-24/25-16-36-33-29-7/9-3/7/9
포장분류: II
위험 등급: 3
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Cellular LocationsMembrane

응용 분야 · 2건

용도2,5-Dimethylthiophene is used as an intermediate in organic synthesis.

일반 설명2,5-Dimethylthiophene is a volatile flavoring compound that has been identified in the essential oil of onion. It is reported to be one of the sulfur-containing compounds formed via Maillard reaction/Strecker degradation of cysteine with furaneol.