Ethanol, 2-mercapto-, 1-acetate
Basic information
- CAS
5862-40-8- Standard SMILES
CC(=O)OCCS- InChIKey
YDLAHBBJAGGIJZ-UHFFFAOYSA-N- Molecular formula
- C4H8O2S
- Average molar mass
- 120.17 g/mol
- Monoisotopic mass
- 120.0245005
Names & identifiers
- Preferred name
- Ethanol, 2-mercapto-, 1-acetate
- IUPAC
- 2-sulfanylethyl acetate
- English name
- 2-mercaptoethyl acetate
- Molecular formula
- C4H8O2S
- Molecular weight
- 120.17
Names & synonyms
2-Mercaptoethyl acetateEthanol, 2-mercapto-, 1-acetateEINECS 227-509-2NSC 84231DTXSID0064042RefChem:138323DTXCID1042447227-509-2YDLAHBBJAGGIJZ-UHFFFAOYSA-N2-sulfanylethyl acetate5862-40-82-acetoxyethanethiol
Show more names
2-mercaptoethyl acetat2-Mercaptoethanol 1-acetateAcetic acid 2-mercaptoethyl ester
mercaptoethyl acetateEthanol, 1-acetateSCHEMBL1365911SCHEMBL4455151SCHEMBL5932478Acetic acid 2-mercapto-ethyl esterAcetic acid, 2-mercaptoethyl esterNSC84231
Database identifiers
- CAS
5862-40-8- PubChem CID
- 98505
- DTXSID
DTXSID0064042- EC Number
- 227-509-2
- Nikkaji
- J218.111H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 62.7
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 68 · 68-70 °C(Press: 15 Torr)
- Density
- 1.072 · 1.072±0.06 g/cm3(Predicted)
- pka
- 9.47 · 9.47±0.10(Predicted)
- EPA Substance Registry System
- 2 · Ethanol, 2-mercapto-, 1-acetate (5862-40-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-mercapto-, 1-acetate: INACTIVE
Related reactions
11 records
Compound notes
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