Propyl sulfide
Basic information
- CAS
111-47-7- Standard SMILES
CCCSCCC- InChIKey
ZERULLAPCVRMCO-UHFFFAOYSA-N- Molecular formula
- C6H14S
- Average molar mass
- 118.24 g/mol
- Monoisotopic mass
- 118.08162162
Overview
Dipropyl sulfide is an aliphatic sulfide.
Names & identifiers
- Preferred name
- Propyl sulfide
- IUPAC
- 1-propylsulfanylpropane
- English name
- Propyl sulfide
- Molecular formula
- C6H14S
- Molecular weight
- 118.24
Names & synonyms
Dipropyl sulfidePropyl sulfide111-47-7Di-n-propyl sulfideDipropyl thioetherPropane, 1,1'-thiobis-4-THIAHEPTANEPropyl monosulfide1-propylsulfanylpropane1,1'-Thiobispropane1-(Propylsulfanyl)propaneQ6J7GNX8F9
Show more names
dipropylsulfane(n-C3H7)2SPROPYLSULPHIDEpropyl thioetherN-PROPYLSULPHIDEPropylSulfide>
DTXSID3021934NSC-78429FEMA NO. 4297, DIPROPYL SULFIDE-RefChem:869759DTXCID401934203-873-8Dipropyl sulphiden-Propyl sulfide
Database identifiers
- CAS
111-47-7- PubChem CID
- 8118
- DTXSID
DTXSID3021934- ChEBI
CHEBI:169566- UNII
- Q6J7GNX8F9
- EC Number
- 203-873-8
- Nikkaji
- J373E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 23.4
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesBoiling point
LogP2.96
Flavoring AgentsEU Flavoring substances
Boiling Point142.00 to 143.00 °C. @ 760.00 mm Hg
Melting Point-102.5 °C
Physical Description
Colorless liquid; [Merck Index] Colorless liquid with a stench; [Alfa Aesar MSDS]
Liquid
Physicochemical properties
- Melting point
- 103 °C · −103 °C(lit.)
- Boiling point
- 142 · 142-143 °C(lit.)
- Density
- 0.838 g/mL · 0.838 g/mL at 25 °C(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
H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1426 reports by companies from 9 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Propane, 1,1'-thiobis-
Propane, 1,1'-thiobis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Diethyl sulfide.
Hazard Classes and CategoriesAcute Tox. 4 (96.6%)
Safety data
- F
- 13
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29309070
- risk_code
- 10-36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,F
- hazard_note
- Harmful/Irritant
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing InformationPropane, 1,1'-thiobis-: ACTIVE
Applications
UsesA garlic organosulfide
UsesDi-n-propyl sulfide is used in organic synthesis and used as a daily fragrance.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Dipropyl sulfide is an aliphatic sulfide.
Related reactions
2 records
Compound notes
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