기본 정보
- CAS
55764-25-5- 표준 SMILES
CC(=O)Sc1ccoc1C- InChIKey
PQFIBPDAGFGLBY-UHFFFAOYSA-N- 분자식
- C7H8O2S
- 평균 분자량
- 156.2 g/mol
- 단동위원소 질량
- 156.02450067
개요
3-(Acetylthio)-2-methylfuran is an aryl sulfide.
이름 및 식별자
- 우선 이름
- 3-(Acetylthio)-2-methylfuran
- IUPAC
- S-(2-methylfuran-3-yl) ethanethioate
- 영어명
- 2-Methylfuran-3-thiol acetate
- 분자식
- C7H8O2S
- 분자량
- 156.2
이름 및 동의어
55764-25-53-(Acetylthio)-2-methylfuranS-(2-Methyl-3-furyl) ethanethioateEthanethioic acid, S-(2-methyl-3-furanyl) ester7277JEE7AFS-(2-methyl-3-furyl) ethane thioateDTXSID5069047FEMA NO. 39731-[(2-methylfuran-3-yl)sulfanyl]ethan-1-one2-METHYL-3-THIOACETOXYFURANEINECS 259-801-0ETHANETHIOIC ACID, S-(2-METHYL-3-FURANYL) ESTER [FHFI]
이름 더 보기
FEMA 3973MFT Acetate2-Methyl-3-acetylthiofuran3-Acetylthio-2-Methylfuran2-Methylfuran-3-thioacetateS-(2-methyl-3-furanyl) ester2-METHYL-3-FURYL THIOACETATE2-METHYLFURAN-3-THIOLACETATE
1-((2-methylfuran-3-yl)sulfanyl)ethan-1-oneRefChem:493981DTXCID7041960259-801-02-Methyl-3-furanthiol acetateS-(2-methylfuran-3-yl) ethanethioate2-Methylfuran-3-thiol acetates-(2-methyl-3-furyl) thioacetate
데이터베이스 식별자
- CAS
55764-25-5- PubChem CID
- 108765
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 55.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 136
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.140-1.159
Solubility
Insoluble in water,slightly soluble in heptane, soluble in tri-acetin
Miscible at room temperature (in ethanol)
Boiling Point
222.00 to 224.00 °C. @ 760.00 mm Hg
222-224 °C
Refractive Index1.444-1.451
Physical DescriptionBrownish liquid; roasted meat aroma
물리화학적 성질
- 끓는 점
- 225 · 225-235 °C
- 밀도
- 1.138 g/mL · 1.138 g/mL at 25 °C
- 굴절률
- 20 · n20/D 1.520
- FEMA
- 3973 · 3973 | ETHANETHIOIC ACID, S-(2-METHYL-3-FURANYL) ESTER
- 인화점
- 60 °C · 60 °C
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 물리적 상태
- 투명한 액체
- 색상
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1442) of reports.
Warning
H315 (99.9%): 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)
Aggregated GHS information provided per 1442 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: Ethanethioic acid, S-(2-methyl-3-furanyl) ester
Hazard Classes and CategoriesSkin Irrit. 2 (99.9%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- HS 번호
- 2932.19.5100
- risk_code
- 36/38-41-37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 37/39-26-39
- 포장분류
- III
- 위험 등급
- 3
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationEthanethioic acid, S-(2-methyl-3-furanyl) ester: ACTIVE
공급사100 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
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