Spiro(2,4-dithia-1-methyl-8-oxabicyclo(3.3.0)octane-3,3'-(1'-oxa-2'-methyl)cyclopentane)
Basic information
- CAS
38325-25-6- Standard SMILES
CC1OCCC12SC1CCOC1(C)S2- InChIKey
LGPJANFPSFABDB-UHFFFAOYSA-N- Molecular formula
- C10H16O2S2
- Average molar mass
- 232.4 g/mol
- Monoisotopic mass
- 232.0591721
Overview
See other relationships...
Names & identifiers
- Preferred name
- 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]
- English name
- hexahydro-2'3a-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan]
- Molecular formula
- C10H16O2S2
- Molecular weight
- 232.36
Names & synonyms
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]
Show more names
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
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
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
Physicochemical properties
- Boiling point
- 356.7 · 356.7±42.0 °C(Predicted)
- Density
- 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)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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