Ethyl 2-(tert-butylsulfanyl)acetate
Basic information
- CAS
60178-20-3- Standard SMILES
CCOC(=O)CSC(C)(C)C- InChIKey
FFJMCUJLEIRSMJ-UHFFFAOYSA-N- Molecular formula
- C8H16O2S
- Average molar mass
- 176.28 g/mol
- Monoisotopic mass
- 176.08710092
Names & identifiers
- Preferred name
- Ethyl 2-(tert-butylsulfanyl)acetate
- IUPAC
- ethyl 2-tert-butylsulfanylacetate
- English name
- Ethyl (tert-butylthio)acetate
- Molecular formula
- C8H16O2S
- Molecular weight
- 176.28
Names & synonyms
ethyl 2-(tert-butylsulfanyl)acetateRefChem:594052108-317-760178-20-3ethyl (tert-butylthio)acetateethyl 2-tert-butylsulfanylacetateethyl 2-(tert-butylthio)acetateSCHEMBL8354123DTXSID60406943Ethyl (tert-butylsulfanyl)acetateETHYL(TERT-BUTYLTHIO)ACETATEKCA17820
Show more names
AKOS000117170DB-319282CS-0224898EN300-12171G21311F646944Acetic acid, 2-[(1,1-dimethylethyl)thio]-, ethyl ester
Database identifiers
- CAS
60178-20-3- PubChem CID
- 4961815
- DTXSID
DTXSID60406943- EC Number
- 108-317-7
- Nikkaji
- J881.148B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 127
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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