Basic information
- CAS
629-19-6- Standard SMILES
CCCSSCCC- InChIKey
ALVPFGSHPUPROW-UHFFFAOYSA-N- Molecular formula
- C6H14S2
- Average molar mass
- 150.3 g/mol
- Monoisotopic mass
- 150.05369245
Overview
Dipropyl disulfide is an organic disulfide where the alkyl groups specified are propyl. It is a component of the essential oils obtained from Allium. It has a role as a plant metabolite.
Names & identifiers
- Preferred name
- Dipropyl disulfide
- IUPAC
- 1-(propyldisulfanyl)propane
- English name
- Propyl disulfide
- Molecular formula
- C6H14S2
- Molecular weight
- 150.31
Names & synonyms
Dipropyl disulfidePropyl disulfide629-19-61-(Propyldisulfanyl)propaneDisulfide, dipropylDi-n-propyl disulfiden-Propyl disulfide4,5-DITHIAOCTANEFEMA No. 3228DTXSID2022096I7K169J70FNSC-75122
Show more names
FEMA 32281,2-DipropyldisulfanePROPYL DISULPHIDEDisulfide,dipropyl(n-C3H7S)24,5-Dithiaoctan
DTXCID302096CHEBI:45758FEMA NO. 4577, DIPROPYL-RefChem:920442211-079-8Dipropyl disulphidePropyldithiopropane1,1'-dithiodipropane
Database identifiers
- CAS
629-19-6- PubChem CID
- 12377
- DTXSID
DTXSID2022096- ChEBI
CHEBI:45758- UNII
- I7K169J70F
- EC Number
- 211-079-8
- Nikkaji
- J43.517A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 31.5
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Dipropyl disulfide) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.950-0.960
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in ethyl alcohol and oil
(in ethanol)
Flash Point151 °F
Boiling Point
193.00 to 195.00 °C. @ 760.00 mm Hg
193.5-195 °C; 99 °C (40 mm Hg)
383 °F
Melting Point
-85.6 °C
-122.1 °F
Refractive Index1.495-1.500
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.3% (4 of 1428) of reports.
Warning
H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1428 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Disulfide, dipropyl
Regulation (EC) No 1831/2003 (amended)
Disulfide, dipropyl: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (91.1%)
Safety data
- F
- 13
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- JO1955000
- ridadr
- 2810
- hs_code
- 29309070
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi
- safety_code
- 23-24/25-37/39-26
- hazard_class
- 6.1(b)
- Storage Class
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationDisulfide, dipropyl: ACTIVE
Applications
OccurrenceReported found in cabbage, onion, garlic, shallot, roasted onion, raw leek, heated leek, chive, nobiru, caucas, Welsh onion, scallion, grilled and roasted beef and roasted peanut.
UsesDipropyl disulfide is a BP-induced cancer inhibitor.
General DescriptionDipropyl disulfide (DPDS) was an efficient scavenger of reactive oxygen species (ROS) at a lower concentration in both HL-60 and HepG2 cells. It prevents the oxidative DNA damage caused by N-nitrosopiperidine (NPIP) and N-nitrosodibutylamine (NDBA).
Preparation methods
PreparationBy boiling propyl bromide and Na2S2 in propyl alcohol; from iodine and n-propyl mercaptan; from propyl iodide and sodium thiosulfate by way of sodium propyl thiosulfate, followed by heating.
Upstream & downstream products
Downstream products
Related reactions
6 records
Compound notes
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