기본 정보
- CAS
4437-20-1- 표준 SMILES
c1coc(CSSCc2ccco2)c1- InChIKey
CBJPZHSWLMJQRI-UHFFFAOYSA-N- 분자식
- C10H10O2S2
- 평균 분자량
- 226.3 g/mol
- 단동위원소 질량
- 226.0122219
개요
Bis(2-furanylmethyl) disulfide is a heteroarene.
이름 및 식별자
- 우선 이름
- 2,2'-(Dithiodimethylene)difuran
- IUPAC
- 2-[(furan-2-ylmethyldisulfanyl)methyl]furan
- 영어명
- Difurfuryldisulfide
- 분자식
- C10H10O2S2
- 분자량
- 226.32
이름 및 동의어
DIFURFURYL DISULFIDEFurfuryl disulfideFuran, 2,2'-[dithiobis(methylene)]bis-2,2'-(Dithiodimethylene)difuran2-Furfuryl disulfidecoffee difuranBis(2-furfuryl)disulfideBis(2-furfuryl) disulfideFEMA No. 31462,2'-(thiodimethylene)-difuran2,2'-(Dithiobis(methylene))bisfuran2,2'-[Dithiobis(methylene)]bisfuran
이름 더 보기
DIFURFURYL DISULPHIDE1,2-Bis(furan-2-ylmethyl)disulfaneFEMA 3146DifurfuryL2-(Furan-2-ylmethyldisulfanylmethyl)furanDifuryl disulfideDifurfuryldisulfid
5IP6729ULFDIFURFURYL DISUFIDEEINECS 224-649-6Furan, 2,2'-(dithiodimethylene)di-Furan, 2,2'-(dithiobis(methylene))bis-DTXSID30634632,2'-(THIODIMETHYLENE)-DIFURAN [FHFI]RefChem:440152
데이터베이스 식별자
- CAS
4437-20-1- PubChem CID
- 20499
- DTXSID
DTXSID3063463- ChEMBL
CHEMBL1331840
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 76.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 148
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (2,2'-(Dithiodimethylene)-difuran) -> IFRA transparency List
LogP4.030
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.229-1.248
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
229.00 to 230.00 °C. @ 760.00 mm Hg
229-230 °C
Melting Point10 - 11 °C
Refractive Index1.585-1.598
Physical Description
Liquid
Pale yellowish oily liquid; powerful, repulsive sulfuraceous odour
물리화학적 성질
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 1.7% (24 of 1413) of reports.
Warning
H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1413 reports by companies from 9 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Furan, 2,2'-[dithiobis(methylene)]bis-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Furan, 2,2'-[dithiobis(methylene)]bis-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (96.2%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3334
- HS 번호
- 29321900
- safety_code
- 24/25
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationFuran, 2,2'-[dithiobis(methylene)]bis-: ACTIVE
응용 분야
출처Reported found in beef (boiled, cooked) and coffee
용도Furfuryl disulfide has been used in the preparation of poly(disulfido-imide)s by Diels-Alder (DA) reaction with the various bismaleimides.
일반 설명Difurfuryl disulfide is a sulfur-containing volatile compound mainly found in roasted coffee. It is also the main degradation product of furfuryl mercaptan under Fenton-type reaction conditions.
제조 방법
Difurfuryl disulfide is produced from Furfural and Hydrogen sulfide gas.
상·하류 제품 정보
상류 원료
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