2-(Propylthio)ethanol
Basic information
- CAS
22812-90-4- Standard SMILES
CCCSCCO- InChIKey
KCWWXXYQPUDKBX-UHFFFAOYSA-N- Molecular formula
- C5H12OS
- Average molar mass
- 120.22 g/mol
- Monoisotopic mass
- 120.06088618
Overview
2-Hydroxyethyl propyl sulfide is an aliphatic sulfide.
Names & identifiers
- Preferred name
- 2-(Propylthio)ethanol
- IUPAC
- 2-propylsulfanylethanol
- English name
- 2-(N-PROPYLTHIO)ETHANOL
- Molecular formula
- C5H12OS
- Molecular weight
- 120.21
Names & synonyms
2-(Propylthio)ethanol22812-90-42-Hydroxyethyl propyl sulfide2-propylsulfanylethanol2-(propylsulfanyl)ethan-1-ol2-Hydroxyethyl n-propyl sulfideW1DWO9ND9CEINECS 245-241-4UNII-W1DWO9ND9CNSC-84225DTXSID00177367.beta.-Hydroxyethyl-n-propyl sulfide
Show more names
PropylthioethanolEthanol, 2-(propylthio)-2-(Propylthio)ethanol>2-(Propylthio)ethan-1-ol2-(N-PROPYLTHIO)ETHANOL 98+%Propyl(2-hydroxyethyl) sulfide
NSC 84225RefChem:84874DTXCID1099858245-241-4beta-Hydroxyethyl-n-propyl sulfideKCWWXXYQPUDKBX-UHFFFAOYSA-N2-(N-Propylthio)Ethanol2-(Propylsulfanyl)ethanol
Database identifiers
- CAS
22812-90-4- PubChem CID
- 89850
- DTXSID
DTXSID00177367- ChEBI
CHEBI:167078- UNII
- W1DWO9ND9C
- EC Number
- 245-241-4
- Nikkaji
- J208.869J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 31.3
Physicochemical properties
- Boiling point
- 107 · 107-108°C 40mm
- Density
- 0 · 0,99 g/cm3
- refractive index
- 1.4815 · 1.4815
- Flash point
- 107 · 107-108°C/40mm
- pka
- 14.52 · 14.52±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- BRN
- 1731984 · 1731984
- FDA UNII
- 1 DWO9ND9C · W1DWO9ND9C
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Warning
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P309-P310
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 23 · 23-36/37
- RIDADR
- 2810 · 2810
- HS Code
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
H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (90.9%)
Safety data
- ridadr
- 2810
- hs_code
- 2930.90.9250
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS05
- safety_code
- 23-36/37
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H314-H318
- Precautionary statements
- P261-P280-P305+P351+P338-P309-P310
Chemistry & industry
Additional notes
DefinitionChEBI: 2-Hydroxyethyl propyl sulfide is an aliphatic sulfide.
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Compound notes
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