Amyl 2-hydroxyethyl sulfide
Basic information
- CAS
22812-91-5- Standard SMILES
CCCCCSCCO- InChIKey
GMCYCIFSAJJFSY-UHFFFAOYSA-N- Molecular formula
- C7H16OS
- Average molar mass
- 148.27 g/mol
- Monoisotopic mass
- 148.0921863
Names & identifiers
- Preferred name
- Amyl 2-hydroxyethyl sulfide
- IUPAC
- 2-pentylsulfanylethanol
- English name
- 2-HYDROXYETHYL N-AMYL SULFIDE
- Molecular formula
- C7H16OS
- Molecular weight
- 148.269
Names & synonyms
AMYL 2-HYDROXYETHYL SULFIDERefChem:557932654-553-322812-91-52-pentylsulfanylethanol2-Hydroxyethyl N-Amyl Sulfide26901-96-22-(Pentylsulfanyl)ethan-1-ol2-(n-Pentylthio)ethanol2-(Pentylthio)ethan-1-olNSC841642-n-pentylthio-ethanol
Show more names
2-pentylthioethan-1-ol2-(pentylsulfanyl)ethanolSCHEMBL1148304SCHEMBL8309288DTXSID60945488GMCYCIFSAJJFSY-UHFFFAOYSA-NNSC-84164STK675267
Database identifiers
- CAS
22812-91-5- PubChem CID
- 256808
- DTXSID
DTXSID60945488- EC Number
- 654-553-3
- Nikkaji
- J1.906.732G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 48.2
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H302-H335-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H302-H335-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…