Propyl 1-propenyl disulfide
Basic information
- CAS
5905-46-4- Standard SMILES
CC=CSSCCC- InChIKey
AAPBYIVJOWCMGH-UHFFFAOYSA-N- Molecular formula
- C6H12S2
- Average molar mass
- 148.3 g/mol
- Monoisotopic mass
- 148.03804273
Overview
See also: Prop-1-enyl propyl disulfide (annotation moved to); Propenyl propyl disulfide (annotation moved to).
Names & identifiers
- Preferred name
- Propyl 1-propenyl disulfide
- IUPAC
- 1-(prop-1-enyldisulfanyl)propane
- English name
- FEMA 3227
- Molecular formula
- C6H12S2
- Molecular weight
- 148.29
Names & synonyms
5905-46-4Propyl 1-propenyl disulfideSCHEMBL1395808DTXSID508636471-(PROPYLDISULFANYL)PROP-1-ENENS00046137PROPENYL PROPYL DISULFIDE1 PROPENYL PROPYL DISULPHIDEFEMA 3227FEMA 3227 USP/EP/BPPROPENYLPROPYLSULPHIDEN-PROPYLALLYLDISULPHIDE
Show more names
Propyl-propenyldisulfide1-Propenylpropyl persulfideDisulfide, 1-propenyl propyl
Database identifiers
- CAS
5905-46-4- PubChem CID
- 529904
- DTXSID
DTXSID50863647
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 59.5
Physicochemical properties
- FEMA
- 3227 · 3227 | PROPENYL PROPYL DISULFIDE
- FLAVIS Number
- 12.044 · 12.044 | Prop-1-enyl propyl disulfide
- Odor
- 0.1 % · at 0.10 % in propylene glycol. sulfurous cooked onion
- Odor Type
- sulfurous
- JECFA Number
- 570 · 570
- LogP
- 4.08 · 4.08
- Substances Added to Food (formerly EAFUS)
- PROPENYL PROPYL DISULFIDE
- FDA UNII
- 368 A7K9E5 · 0368A7K9E5
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226
Chemistry & industry
Applications
OccurrenceFlavor component of onion oil (trans-form); roasted onion, raw leek, Welsh onion, scallion and chives (Allium schoenoprosum).
Preparation methods
PreparationTreatment of 1-ethylthio-2-propenylthioethene with NaNH2 in liquid ammonia results in formation of Na-1-propenethiolate; which reacts with S-propyl propanethiosulfonate to give propenyl propyl disulfide in good yield.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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