2,5-Dimethyl-3-furanthiol

HCID 41569

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 55764-23-3
표준 SMILES: Cc1cc(S)c(C)o1
InChIKey: DBBHCZMXKBCICL-UHFFFAOYSA-N
분자식: C6H8OS
평균 분자량: 128.19 g/mol
단동위원소 질량: 128.02958588

이름 및 식별자

우선 이름: 2,5-Dimethyl-3-furanthiol
IUPAC: 2,5-dimethylfuran-3-thiol
영어명: 2,5-Dimethylfuran-3-thiol
분자식: C6H8OS
분자량: 128.19

이름 및 동의어

2,5-Dimethylfuran-3-thiol2,5-Dimethyl-3-furanthiol3-Mercapto-2,5-dimethylfuran3-FURANTHIOL, 2,5-DIMETHYL-2,5-Dimethyl-3-mercaptofuranFEMA No. 34512,5-Dimethyl-3-furylmercaptanEINECS 259-800-5UNII-WCT2259X5LWCT2259X5LDTXSID10204315DIMETHYL-3-FURANTHIOL, 2,5-

이름 더 보기

2,5-Dimethyl-3-furathiolFEMA 3451DiMethyl-3-furanth2,5-dimethyl-3-furanthio2,5-Dimethyl-3-furanthiol>

2,5-DIMETHYL-3-FURANTHIOL [FHFI]RefChem:82944DTXCID10126806DBBHCZMXKBCICL-UHFFFAOYSA-NInChI=1/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H55764-23-3MFCD008010262,5-dimethyl-furan-3-thiol

데이터베이스 식별자

CAS: 55764-23-3
PubChem CID: 41569
DTXSID: DTXSID10204315
UNII: WCT2259X5L
EC Number: 259-800-5
Nikkaji: J75.520F

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 14.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 84.6

실험 및 물리화학적 성질

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.138-1.144

Flavoring AgentsEU Flavoring substances

Solubility · 2건

Insoluble in water,soluble in organic solvents,oils

Miscible at room temperature (in ethanol)

Boiling Point · 2건

175.00 to 177.00 °C. @ 760.00 mm Hg

70 °C (30 mm Hg)

Refractive Index1.500-1.520

물리화학적 성질

끓는 점: 175 · 175-177 °C
밀도: 1.05 · 1.05
굴절률: 1.505 · 1.505-1.515
FEMA: 3451 · 3451 | 2,5-DIMETHYL-3-FURANTHIOL
인화점: 54 °C · 54 °C
저장 조건: 2 · Sealed in dry,2-8°C
산도 계수 (pKa): 6.43 · 6.43±0.50(Predicted)
물리적 상태: 투명한 액체
색상: 밝은 노란색에서 갈색까지
냄새: 0.1 % · 프로필렌 글리콜 중 0.10%. 양고기 고기 유황
냄새 유형: 유황의
수용성: 불용성
JECFA Number: 1063 · 1063
InChI: 1S/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H3
InChIKey: DBBHCZMXKBCICL-UHFFFAOYSA-N
SMILES: Cc1cc(S)c(C)o1
LogP: 2.6 · 2.60
NIST: 3 · 3-Furanthiol, 2,5-dimethyl-(55764-23-3)

화학적 성질

clear amber to orange liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1548 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 3-Furanthiol, 2,5-dimethyl-

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

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

Hazard Classes and CategoriesFlam. Liq. 3 (> 99.9%)

안전 데이터

wgk: WGK 3
rtecs: LU6230000
ridadr: 3336
HS 번호: 29321900
risk_code: 36/37/38-23/24/25-10-22-2017/10/22
hazard_code: T,Xn
safety_code: 45-36/37/39-16-15
포장분류: III
위험 등급: 3
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

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