基本情報
- CAS
38325-25-6- 標準SMILES
CC1OCCC12SC1CCOC1(C)S2- InChIKey
LGPJANFPSFABDB-UHFFFAOYSA-N- 分子式
- C10H16O2S2
- 平均分子量
- 232.4 g/mol
- 単同位体質量
- 232.0591721
概要
See other relationships...
名称と識別子
- 優先名称
- 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]
- 現地名
- 3a,4',5,5',6,6a-ヘキサヒドロ-2',3a-ジメチルスピロ[1,3-ジチオロ[4,5-b]フラン-2,3'(2'H)-フラン]
- 英語名
- hexahydro-2'3a-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan]
- 分子式
- C10H16O2S2
- 分子量
- 232.36
名称と別名
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]
名称をさらに表示
3a,4',5,5',6,6a-ヘキサヒドロ-2',3a-ジメチルスピロ[1,3-ジチオロ[4,5-b]フラン-2,3'(2'H)-フラン]2',3a-ジメチル-テトラヒドロスピロ[[1,3]ジチオロ[4,5-b]フラン-2,3'-オキソラン]3a,4′,5,5′,6,6a-ヘキサヒドロ-2′,3a-ジメチルスピロ[1,3-ジチオロ[4,5-b]フラン-2,3′(2′H)-フラン]H)-furan]
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 69.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 0
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 261
実験および物理化学的性質
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
物理化学的性質
- 沸点
- 356.7 · 356.7±42.0 °C(Predicted)
- 比重(密度)
- 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)
- 臭い (Odor)
- 肉の味
- JECFA Number
- 1296 · 1296
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
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
サプライヤー28 社
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