Basic information
- CAS
16849-98-2- Standard SMILES
O=C(CS)OC1CCCCC1- InChIKey
DHQYDHVETSVMKQ-UHFFFAOYSA-N- Molecular formula
- C8H14O2S
- Average molar mass
- 174.26 g/mol
- Monoisotopic mass
- 174.07145086
Names & identifiers
- Preferred name
- Cyclohexyl mercaptoacetate
- IUPAC
- cyclohexyl 2-sulfanylacetate
- English name
- cyclohexyl mercaptoacetate
- Molecular formula
- C8H14O2S
- Molecular weight
- 174.26
Names & synonyms
16849-98-2Cyclohexyl mercaptoacetateCyclohexyl thioglycolateCyclohexyl 2-mercaptoacetateAcetic acid, mercapto-, cyclohexyl esterEINECS 240-874-2DTXSID00168573RefChem:129685DTXCID5091064240-874-2DHQYDHVETSVMKQ-UHFFFAOYSA-Ncyclohexyl 2-sulfanylacetate
Show more names
Acetic acid, 2-mercapto-, cyclohexyl esterCyclohexyl sulfanylacetatecyclohexyl2-sulfanylacetateCyclohexyl sulfanylacetate #V2Y33HW2FVSCHEMBL1405464SCHEMBL4678698RAA84998
Database identifiers
- CAS
16849-98-2- PubChem CID
- 29346
- DTXSID
DTXSID00168573- UNII
- V2Y33HW2FV
- EC Number
- 240-874-2
- Nikkaji
- J68.538K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 105 · 105-110 °C(Press: 10 Torr)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- form
- somewhat viscous liquid
- pka
- 7.95 · 7.95±0.10(Predicted)
- color
- Colorless
- Odor
- Mild and agreeable, slightly fruity and sweet odor.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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