기본 정보
- CAS
38325-25-6- 표준 SMILES
CC1OCCC12SC1CCOC1(C)S2- InChIKey
LGPJANFPSFABDB-UHFFFAOYSA-N- 분자식
- C10H16O2S2
- 평균 분자량
- 232.4 g/mol
- 단동위원소 질량
- 232.0591721
개요
See other relationships...
이름 및 식별자
- 우선 이름
- Spiro(2,4-dithia-1-methyl-8-oxabicyclo(3.3.0)octane-3,3'-(1'-oxa-2'-methyl)cyclopentane)
- IUPAC
- 2',3a-dimethylspiro[6,6a-dihydro-5H-[1,3]dithiolo[4,5-b]furan-2,3'-oxolane]
- 영어명
- hexahydro-2'3a-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan]
- 분자식
- C10H16O2S2
- 분자량
- 232.36
이름 및 동의어
FEMA No. 3270Spiro(1,3-dithiolo(4,5-b)furan-2,3'(2'H)-furan), hexahydro-2',3a-dimethyl-Hexahydro-2'3a-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan]TER5ZXE00DEINECS 253-884-7Spiro(2,4-dithia-1-methyl-8-oxabicyclo(3.3.0)octane-3,3'-(1'-oxa-2'-methyl)cyclopentane)DTXSID70865906Hexahydro-2',3a-dimethylspiro(1,3-dithiolo(4,5-b)furan-2,3'(2'H)-furan)Spiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan], hexahydro-2',3a-dimethyl-Spiro(2,4-dithia-1-methyl-8-oxabicyclo(3.3.0)octane-3,3'-(1'-oxa-2-methyl)cyclopentane)Spiro(2,4-dithia-1-methyl-8-oxabicyclo(3.3.0)octane-3,3'-l(1'-oxa-2'-methyl)-cyclopentaneHexahydro-2',3a-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan]
이름 더 보기
H)-furan]hexahydro-2',3a-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(...Spiro1,3-dithiolo4,5-bfuran-2,3(2H)-furan, hexahydro-2,3a-dimethyl-2,3A'-dimethylhexahydro-2h-spiro[furan-3,2'-[1,3]dithiolo[4,5-b]furan2',3a-dimethylhexahydro-2'h-spiro[[1,3]dithiolo[4,5-b]furan-2,3'-furan
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 69.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 261
실험 및 물리화학적 성질
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.200-1.208
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in non-polar solvents
soluble (in ethanol)
Boiling Point
135.00 to 140.00 °C. @ 3.00 mm Hg
135-140 °C (3 mm Hg)
Refractive Index1.559-1.565
Physical Descriptioncolourless to pale yellow liquid
물리화학적 성질
- 끓는 점
- 356.7 · 356.7±42.0 °C(Predicted)
- 밀도
- 1.28 · 1.28
- FEMA
- 3270 · 3270 | SPIRO(2,4-DITHIA-1-METHYL-8-OXABICYCLO(3.3.0)OCTANE-3,3'-(1'-OXA-2'-METHYL)-CYCLOPENTANE)
- 냄새
- 고기맛
- JECFA Number
- 1296 · 1296
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (97.2%): 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 1416 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Spiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan], hexahydro-2',3a-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Spiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan], hexahydro-2',3a-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (97.2%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationSpiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan], hexahydro-2',3a-dimethyl-: ACTIVE
공급사28 곳
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
石家庄利达化学品有限公司+86 (311) 8573-7996 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
安徽进博香料有限公司15102127101 15556562013 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
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