Basic information
- CAS
23654-92-4- Standard SMILES
CC1SSC(C)S1- InChIKey
HFRUNLRFNNTTPQ-UHFFFAOYSA-N- Molecular formula
- C4H8S3
- Average molar mass
- 152.3 g/mol
- Monoisotopic mass
- 151.97881378
Names & identifiers
- Preferred name
- 3,5-Dimethyl-1,2,4-trithiolane
- IUPAC
- 3,5-dimethyl-1,2,4-trithiolane
- English name
- 3,5-Dimethyl-1,2,4-trithiolane
- Molecular formula
- C4H8S3
- Molecular weight
- 152.3
Names & synonyms
3,5-DIMETHYL-1,2,4-TRITHIOLANE23654-92-41,2,4-Trithiolane, 3,5-dimethyl-2,5-Dimethyl-1,3,4-trithiolaneFEMA No. 35413,5-Dimethyl-1,2,4-trithiolanEINECS 245-808-6UNII-FQN903SX703,5-dimethyl-1,2,4-trithiolane, A3,5-dimethyl-1,2,4-trithiolane, BFQN903SX70FEMA 3541
Show more names
3，5-Dimethyl-1,2,4-trithidane3,5-Dimethyl-1,2,4-trithiolane USP/EP/BP
3,5-Dimethyl-1,2,-trithiolane, isomer 13,5-Dimethyl-1,2,-trithiolane, isomer 2DTXSID708651083,5-DIMETHYL-1,2,4-TRITHIACYCLOPENTANE3,5-DIMETHYL-1,2,4-TRITHIOLANE [FHFI]RefChem:91577DTXCID60813557(+-)-3,5-DIMETHYL-1,2,4-TRITHIOLANE
Database identifiers
- CAS
23654-92-4- PubChem CID
- 32033
- DTXSID
DTXSID70865108- UNII
- FQN903SX70
- EC Number
- 245-808-6
- Nikkaji
- J127.228D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 56
Experimental & physicochemical properties
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.241-1.261
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in fat
(in ethanol)
Boiling Point
43.00 to 45.00 °C. @ 0.70 mm Hg
43-45 °C (0.7 mm Hg)
Refractive Index1.593-1.603
Physicochemical properties
- Boiling point
- 38 °C · 38 °C(Press: 0.3 Torr)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- FEMA
- 3541 · 3541 | 3,5-DIMETHYL-1,2,4-TRITHIOLANE
- FLAVIS Number
- 15.025 · 15.025 | 3,5-Dimethyl-1,2,4-trithiolane
- Odor
- 0.01 % · at 0.01 % in propylene glycol. meaty beefy sulfurous
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 9.6% (11 of 115) of reports.
Warning
H302 (90.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 115 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,2,4-Trithiolane, 3,5-dimethyl-
Regulation (EC) No 1831/2003 (amended)
1,2,4-Trithiolane, 3,5-dimethyl-: 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 CategoriesAcute Tox. 4 (90.4%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H332-H315-H335
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1,2,4-Trithiolane, 3,5-dimethyl-: INACTIVE
Applications
OccurrenceReported found in boiled beef, cooked chicken, pork, mutton, roasted filberts, dried kidney beans, shrimps, clams and mushrooms
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers30 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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