PYRROLIDINO-[1,2e]-4H-2,4-DIMETHYL-1,3,5-DITHIAZINE
기본 정보
- CAS
116505-60-3- 표준 SMILES
C[C@H]1S[C@@H](C)N2CCC[C@H]2S1- InChIKey
OJEOXDLLIADRBL-BIIVOSGPSA-N- 분자식
- C8H15NS2
- 평균 분자량
- 189.3 g/mol
- 단동위원소 질량
- 189.06459183
개요
Pyrrolidino-[1,2E]-4H-2,4-dimethyl-1,3,5-dithiazine is an organic heteromonocyclic compound, an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.
이름 및 식별자
- 우선 이름
- PYRROLIDINO-[1,2e]-4H-2,4-DIMETHYL-1,3,5-DITHIAZINE
- IUPAC
- (2S,4S,8aR)-2,4-dimethyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
- 영어명
- 4H-Pyrrolo2,1-d-1,3,5-dithiazine, tetrahydro-2,4-dimethyl-, 2S-(2.alpha.,4.alpha.,8a.beta.)-
- 분자식
- C8H15NS2
- 분자량
- 189.34
이름 및 동의어
116505-60-3Pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazineFEMA No. 4321DTC802H23E2,4-Dimethyl(4H)pyrrolidino(1,2E)-1,3,5-dithiazine2,4-Dimethyltetrahydropyrrolo(2,1-d)(1,3,5)-dithiazinePyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine [FHFI]Pyrrolidino-[1,2E]-4H-2,4-dimethyl-1,3,5-dithiazine4H-PYRROLO(2,1-D)-1,3,5-DITHIAZINE, TETRAHYDRO-2,4-DIMETHYL-, (2S-(2.ALPHA.,4.ALPHA.,8A.BETA.))-4H-Pyrrolo(2,1-d)-1,3,5-dithiazine, tetrahydro-2,4-dimethyl-, (2S-(2alpha,4alpha,8abeta))-2,4-Dimethyl(4H)pyrrolidino[1,2e]-1,3,5-dithiazine2,4-DIMETHYLTETRAHYDROPYRROLO[2,1-d][1,3,5]-DITHIAZINE
이름 더 보기
(2S,4S,8aR)-Tetrahydro-2,4-dimethyl-4H-pyrrolo[2,1-d]-1,3,5-dithiazine4H-Pyrrolo[2,1-d]-1,3,5-dithiazine, tetrahydro-2,4-dimethyl-, (2S,4S,8aR)-4H-Pyrrolo2,1-d-1,3,5-dithiazine, tetrahydro-2,4-dimethyl-, 2S-(2.alpha.,4.alpha.,8a.beta.)-
4H-Pyrrolo[2,1-d]-1,3,5-dithiazine, tetrahydro-2,4-dimethyl-, [2S-(2.alpha.,4.alpha.,8a.beta.)]-RefChem:8711032,4-dimethyl-hexahydropyrrolo(2,1-d)(1,3,5)dithiazine2,4-dimethyl-hexahydropyrrolo[2,1-d][1,3,5]dithiazine(2S,4S,8AR)-2,4-dimethyltetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine(2S,4S,8aR)-2,4-dimethyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazineUNII-DTC802H23ECHEBI:173249
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 53.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 151
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Practically insoluble or insoluble in water; soluble in pentane and diethyl ether
Soluble (in ethanol)
Physical DescriptionCrystalline solid; Meaty, cooked, brown roasted aroma
물리화학적 성질
- 끓는 점
- 275 ℃ · 275℃ (760 Torr)
- 밀도
- 1.18 · 1.18±0.1 g/cm3 (20 ºC 760 Torr)
- FEMA
- 4321 · 4321 | PYRROLIDINO-[1,2E]-4H-2,4-DIMETHYL-1,3,5-DITHIAZINE
- 인화점
- 120 ℃ · 120℃ (760 Torr)
- 산도 계수 (pKa)
- 5.25 · 5.25±0.60(Predicted)
- 냄새
- 0.1 % · 프로필렌 글리콜 중 0.10%. 고기 요리 구운
- 냄새 유형
- 고기가 많은
- JECFA Number
- 1763 · 1763
- LogP
- 2.37 · 2.37
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
4H-Pyrrolo2,1-d-1,3,5-dithiazine, tetrahydro-2,4-dimethyl-, 2S-(2.alpha.,4.alpha.,8a.beta.)-: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
용도 및 제조
Use Classification
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
응용 분야
출처Reported found in roasted shellfish.
관련 반응
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