Basic information
- CAS
2179-60-4- Standard SMILES
CCCSSC- InChIKey
PUCHCUYBORIUSM-UHFFFAOYSA-N- Molecular formula
- C4H10S2
- Average molar mass
- 122.3 g/mol
- Monoisotopic mass
- 122.02239267
Overview
Methyl propyl disulfide is an organic disulfide.
Names & identifiers
- Preferred name
- Methyl propyl disulfide
- IUPAC
- 1-(methyldisulfanyl)propane
- English name
- Methyl propyl disulfide
- Molecular formula
- C4H10S2
- Molecular weight
- 122.25
Names & synonyms
Methyl propyl disulfide1-(Methyldisulfanyl)propaneDisulfide, methyl propylMethyldithiopropane2,3-DithiahexaneMethyl propyl disulphidePropyl methyl disulfideFEMA No. 32018M12K3FU0TMethyl n-propyl disulfideUNII-8M12K3FU0TCCRIS 3268
Show more names
Methyl propylPropyldithiomethaneDisulfide,methylpropylPROPYLMETHYLDISULPHIDE1-(Methyldithio)propaneethyldisulfanyl)propane
EINECS 218-551-2AI3-38157DTXSID8062234FEMA 3201METHYL PROPYL DISULFIDE [FHFI]RefChem:1580111-(Methyldisulphanyl)propaneDTXCID0036550
Database identifiers
- CAS
2179-60-4- PubChem CID
- 16592
- DTXSID
DTXSID8062234- ChEBI
CHEBI:89629- UNII
- 8M12K3FU0T
- EC Number
- 218-551-2
- Nikkaji
- J7.350D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 21.5
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.990-0.999
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; soluble in ethyl alcohol and oil
(in ethanol)
Boiling Point69-71 °C (43 mm Hg); 40-41 °C (9 mm Hg)
Refractive Index1.508-1.518
Physical Descriptionpale yellowish mobile liquid with powerful, penetratating, sulfuraceous-herbaceous, oniony odour
Physicochemical properties
- Melting point
- -101.52 °C · -101.52°C (estimate)
- Boiling point
- 69 · 69-71 °C/43 mmHg (lit.)
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
H226 (34.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1496 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Disulfide, methyl propyl
Disulfide, methyl propyl: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (34.9%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29309090
- risk_code
- 10-36-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 16-26-37/39
- hazard_class
- 3.2
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 InformationDisulfide, methyl propyl: ACTIVE
Applications
DescriptionMethyl propyl disulfide has an odor and taste reminiscent of cooked onion. May be prepared from Bunte salt and the corresponding thiol.
OccurrenceReported found in cabbage, onion oil, onion, garlic, shallot, leek, chive, fried potato, potato, tomato, beef, peanut, cooked beef, roast peanut and Brussels sprout
UsesMethyl propyl disulfide is used as a daily-use and food flavoring.
Preparation methods
PreparationFrom Bunte salt and the corresponding thiol.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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