Ethanol, 2-(ethenylthio)-
Basic information
- CAS
3090-56-0- Standard SMILES
C=CSCCO- InChIKey
CJDXLHTYSXHWDC-UHFFFAOYSA-N- Molecular formula
- C4H8OS
- Average molar mass
- 104.17 g/mol
- Monoisotopic mass
- 104.02958605
Names & identifiers
- Preferred name
- Ethanol, 2-(ethenylthio)-
- IUPAC
- 2-ethenylsulfanylethanol
- English name
- 2-Hydroxyethylvinylsulphide
- Molecular formula
- C4H8OS
- Molecular weight
- 104.17
Names & synonyms
Ethanol, 2-(ethenylthio)-3090-56-0Hydroxyethyl vinyl sulfide2-(Ethenylthio)ethanolDTXSID10184906RefChem:592226DTXCID10107397608-554-02-ethenylsulfanylethanol2-Hydroxyethyl vinyl sulfide2-(Ethenylsulfanyl)ethan-1-ol2-(Vinylsulfanyl)ethanol
Show more names
2-(Vinylthio)ethanolvinyl 2-hydroxyethyl sulfide9CGW5KK8JXEthanol, 2-(vinylthio)-2-(Vinylsulfanyl)ethanol #SCHEMBL33893272-HYDROXYETHYLVINYLSULPHIDECJDXLHTYSXHWDC-UHFFFAOYSA-N
Database identifiers
- CAS
3090-56-0- PubChem CID
- 520498
- DTXSID
DTXSID10184906- UNII
- 9CGW5KK8JX
- EC Number
- 608-554-0
- Nikkaji
- J522.337G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 36.5
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Boiling point
- 185.6 ℃ · 185.6℃ at 101.325kPa
- Density
- 1.067 at · 1.067 at 20℃
- vapor pressure
- 31.3 · 31.3-298Pa at 20-50℃
- form
- Liquid
- pka
- 14.62 · 14.62±0.10(Predicted)
- LogP
- 0.6 at · 0.6 at 23℃ and pH6
- Indirect Additives used in Food Contact Substances
- HYDROXYETHYL VINYL SULFIDE
- FDA 21 CFR
- 177.101 · 177.1010
- FDA UNII
- 9 CGW5KK8JX · 9CGW5KK8JX
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 317 · H317-H318
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
H301+H311+H331 (26.9%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 145 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Ethanol, 2-(ethenylthio)- (EC: 608-554-0)
Hazard Classes and CategoriesAcute Tox. 3 (26.9%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H317-H318
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Suppliers
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Related reactions
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Compound notes
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