Ethyl isopropyl sulphide
Basic information
- CAS
5145-99-3- Standard SMILES
CCSC(C)C- InChIKey
NZUQQADVSXWVNW-UHFFFAOYSA-N- Molecular formula
- C5H12S
- Average molar mass
- 104.22 g/mol
- Monoisotopic mass
- 104.06597156
Overview
Ethylisopropyl sulfide is an aliphatic sulfide.
Names & identifiers
- Preferred name
- Ethyl isopropyl sulphide
- IUPAC
- 2-ethylsulfanylpropane
- English name
- Ethyl isopropyl sulfide
- Molecular formula
- C5H12S
- Molecular weight
- 104.21
Names & synonyms
2-(Ethylthio)propaneEthyl isopropyl sulphideEINECS 225-917-5DTXSID70199430NSC 163314RefChem:596235DTXCID00121921225-917-5Ethyl isopropyl sulfide5145-99-32-ethylsulfanylpropanePropane, 2-(ethylthio)-
Show more names
C2H5S(iso-C3H7)ethylisopropylsulphidepropane,2-(ethylthio)-4-methyl-3-thiapentanesulfide,ethylisopropyl3-thiapentane,2-methyl-
2-Methyl-3-thiapentaneSulfide, ethyl isopropylIsopropyl ethyl sulfideMFCD00039908NSC-1633142-(Ethylsulfanyl)propaneEthylisopropyl sulfide2-ethylsulanylpropane
Database identifiers
- CAS
5145-99-3- PubChem CID
- 21228
- DTXSID
DTXSID70199430- ChEBI
CHEBI:229116- UNII
- 9FM2V7QR4Z
- EC Number
- 225-917-5
- Nikkaji
- J43.503A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 25.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -122.19 °C · -122.19°C
- Boiling point
- 103 °C · 103 °C
- Density
- 0.83 · 0.83
- refractive index
- 1.439 · 1.4390-1.4430
- form
- liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 3.7 · 3.7×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
- LogP
- 2.3 · 2.300 (est)
- FDA UNII
- 9 FM2V7QR4Z · 9FM2V7QR4Z
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
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
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- ridadr
- 1993
- hs_code
- 2930.90.9250
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_class
- 3
- packing_group
- II
- Hazard statements
- H225-H315-H319
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…