Basic information
- CAS
622-38-8- Standard SMILES
CCSc1ccccc1- InChIKey
AEHWKBXBXYNPCX-UHFFFAOYSA-N- Molecular formula
- C8H10S
- Average molar mass
- 138.23 g/mol
- Monoisotopic mass
- 138.05032132
Names & identifiers
- Preferred name
- (Ethylthio)benzene
- IUPAC
- ethylsulfanylbenzene
- English name
- ETHYL PHENYL SULFIDE
- Molecular formula
- C8H10S
- Molecular weight
- 138.23
Names & synonyms
Show more names
Database identifiers
- CAS
622-38-8- PubChem CID
- 12144
- DTXSID
DTXSID60211236- UNII
- UV3WD52QZX
- EC Number
- 210-731-9
- Nikkaji
- J43.573B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 65
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- -35.21 °C · -35.21 °C
- Boiling point
- 204 · 204-205 °C (lit.)
- Density
- 1.021 g/mL · 1.021 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.566(lit.)
- Flash point
- 165 °F · 165 °F
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Clear Colorless
- Specific Gravity
- 1.021 · 1.021
- BRN
- 1905731 · 1905731
- InChI
- 1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
- InChIKey
- AEHWKBXBXYNPCX-UHFFFAOYSA-N
- SMILES
- CCSc1ccccc1
- CAS DataBase Reference
- 622 · 622-38-8(CAS DataBase Reference)
- FDA UNII
- 3 WD52QZX · UV3WD52QZX
- NIST Chemistry Reference
- Benzene, (ethylthio)-(622-38-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H227
- Precautionary statements
- 261 · P261-P305+P351+P338-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501-P210e-P280a-P405-P501a
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 13 · 13
- HS Code
- 2930.9 · 2930.90.2900
- HazardClass
- TOXIC, STENCH
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- F
- 13
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2930.90.2900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 26-36
- hazard_class
- TOXIC, STENCH
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335-H227
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501-P210e-P280a-P405-P501a
Chemistry & industry
Applications
UsesEthyl Phenyl Sulfide is a reactant used in the synthesis of polyoxometalates for layered double hydroxides. Also used in the preparation of immobilized manganese porphyrin on functionalizedmagnetic nanoparticles
General DescriptionThe activation parameters involved in the oxidation of ethyl phenyl sulfide in tert-butyl alcohol were studied.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers92 total
Related reactions
Compound notes
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