Basic information
- CAS
5616-51-3- Standard SMILES
CC1SCCS1- InChIKey
CARJCVDELAMAEJ-UHFFFAOYSA-N- Molecular formula
- C4H8S2
- Average molar mass
- 120.2 g/mol
- Monoisotopic mass
- 120.0067426
Names & identifiers
- Preferred name
- 2-Methyl-1,3-dithiolane
- IUPAC
- 2-methyl-1,3-dithiolane
- English name
- 2-Methyl-1,3-dithiolane
- Molecular formula
- C4H8S2
- Molecular weight
- 120.24
Names & synonyms
2-Methyl-1,3-dithiolane5616-51-31,3-DITHIOLANE, 2-METHYL-2-Methyl-1,3-dithiacyclopentaneFEMA No. 3705EINECS 227-038-2UNII-4O81R0SPR0NSC 2278634O81R0SPR0NSC-227863DTXSID80639632-METHYL-1,3-DITHIOLANE [FHFI]
Show more names
FEMA 37052-methyl-3-dithiolane2-Methyl-1,3-ditholane3-Dithiolane,2-methyl-12-Methyl-1,3-dithiolane,97%methyldithiolane,2-methyl-dithiacyclopentane,2-methyl-1,3-dithiolane
RefChem:87969DTXCID6042028227-038-2CARJCVDELAMAEJ-UHFFFAOYSA-NInChI=1/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1HMFCD01729666NSC227863SCHEMBL761708
Database identifiers
- CAS
5616-51-3- PubChem CID
- 21828
- DTXSID
DTXSID8063963- UNII
- 4O81R0SPR0
- EC Number
- 227-038-2
- Nikkaji
- J91.174G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 38.8
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.153 (d20/4)
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; slightly soluble in fat
(in ethanol)
Boiling Point
65.00 °C. @ 10.00 mm Hg
65 °C (10 mm Hg)
Refractive Index1.564-1.574
Physical Descriptionliquid with a burnt alliaceous odour
Physicochemical properties
- Boiling point
- 40 °C/2mmHg · 40°C/2mmHg
- Density
- 1.15 · 1.15
- FEMA
- 3705 · 3705 | 2-METHYL-1,3-DITHIOLANE
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
This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,3-Dithiolane, 2-methyl-
1,3-Dithiolane, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- rtecs
- JP1163000
- hs_code
- 29349990
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- safety_code
- 23-36/37/39-45
- Hazard statements
- H226-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 Information1,3-Dithiolane, 2-methyl-: INACTIVE
Applications
Description2-Methyl-1,3-dithiolane has a burnt, alliaceous odor.
OccurrenceReported found in boiled meat.
Suppliers32 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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