Diamyl sulfide
Basic information
- CAS
872-10-6- Standard SMILES
CCCCCSCCCCC- InChIKey
JOZDADPMWLVEJK-UHFFFAOYSA-N- Molecular formula
- C10H22S
- Average molar mass
- 174.35 g/mol
- Monoisotopic mass
- 174.14422188
Overview
Diamyl sulfide appears as a yellow colored liquid with an obnoxious odor. Less dense than water and slightly soluble in water. May irritate skin, eyes and mucous membranes. May decompose to toxic oxides of sulfur when heated to high temperatures. Used to make other chemicals.
Names & identifiers
- Preferred name
- Diamyl sulfide
- IUPAC
- 1-pentylsulfanylpentane
- English name
- N-AMYL SULFIDE
- Molecular formula
- C10H22S
- Molecular weight
- 174.35
Names & synonyms
Diamyl sulfide872-10-6Pentyl sulfideAmyl sulfidePentane, 1,1'-thiobis-Dipentyl sulfideDipentyl sulphideDi-n-pentyl sulfide6-ThiaundecaneDTXSID804226661XJN3644RDIPENTYL THIOETHER
Show more names
AI301368AI3 01368AmylSulfide>n-Pentylsulfide
EINECS 212-820-8AI3-01368DTXCID6022266PENTANE, 1-(PENTYLTHIO)-RefChem:586290n-Amyl sulfidedipentylsulfane1-pentylsulfanylpentane
Database identifiers
- CAS
872-10-6- PubChem CID
- 13382
- DTXSID
DTXSID8042266- ChEMBL
CHEMBL3184537- UNII
- 61XJN3644R
- EC Number
- 212-820-8
- Nikkaji
- J44.107D
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 53.9
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
Flash Point185 °F (NFPA, 2010)
Physical Description
Diamyl sulfide appears as a yellow colored liquid with an obnoxious odor. Less dense than water and slightly soluble in water. May irritate skin, eyes and mucous membranes. May decompose to toxic oxides of sulfur when heated to high temperatures. Used to make other chemicals.
Physicochemical properties
- Melting point
- -51 °C · -51°C
- Boiling point
- 228 · 228-230°C
- Density
- 0 · 0,84 g/cm3
- refractive index
- 1.456 · 1.4560
- FLAVIS Number
- 12.117 · 12.117 | Dipentyl sulfide
- Flash point
- 85 °C · 85°C
- storage temp.
- 2 · 2-8°C, stored under nitrogen
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pentane, 1,1'-thiobis-: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Reactive GroupSulfides, Organic
Reactivity Profile
Organosulfides, such as DIAMYL SULFIDE, are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid.
Air and Water ReactionsSlightly soluble in water.
Chemistry & industry
Applications
General DescriptionA yellow colored liquid with an obnoxious odor. Less dense than water and slightly soluble in water. Flash point 185°F. May irritate skin, eyes and mucous membranes. May decompose to toxic oxides of sulfur when heated to high temperatures. Used to make other chemicals.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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