2-(Hexylthio)ethanol
Basic information
- CAS
24475-56-7- Standard SMILES
CCCCCCSCCO- InChIKey
ZMGLDPZVDZFNLE-UHFFFAOYSA-N- Molecular formula
- C8H18OS
- Average molar mass
- 162.3 g/mol
- Monoisotopic mass
- 162.10783637
Names & identifiers
- Preferred name
- 2-(Hexylthio)ethanol
- IUPAC
- 2-hexylsulfanylethanol
- English name
- 2-Hydroxyethyl hexyl sulfide
- Molecular formula
- C8H18OS
- Molecular weight
- 162.29
Names & synonyms
2-(Hexylthio)ethanol24475-56-7EINECS 246-282-0DTXSID20179242NSC 84220RefChem:461027DTXCID50101733246-282-02-hexylsulfanylethanolHexyl 2-hydroxyethyl sulfide2-hexylthioethan-1-olNSC84220
Show more names
Ethanol, 2-(hexylthio)-2-(Hexylsulfanyl)ethan-1-ol2-Hydroxyethyl hexyl sulfideB-HYDROXYETHYL N-HEXYL SULFIDE
SCHEMBL4897794SCHEMBL7960731NSC-84220SBB060444AKOS009532560DB-046462NS00027673ST50545714
Database identifiers
- CAS
24475-56-7- PubChem CID
- 90519
- DTXSID
DTXSID20179242- EC Number
- 246-282-0
- Nikkaji
- J287.264A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 57.2
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302
- Precautionary statements
- 280 · 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]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, 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. 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
- H318-H302
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…