2-Butyloctane-1-thiol
Basic information
- CAS
939778-17-3- Standard SMILES
CCCCCCC(CS)CCCC- InChIKey
STXQAIWKOBWHGT-UHFFFAOYSA-N- Molecular formula
- C12H26S
- Average molar mass
- 202.4 g/mol
- Monoisotopic mass
- 202.175522
Names & identifiers
- Preferred name
- 2-Butyloctane-1-thiol
- IUPAC
- 2-butyloctane-1-thiol
Names & synonyms
2-butyloctane-1-thiol939778-17-3RefChem:468139899-197-1SCHEMBL4651494
Database identifiers
- CAS
939778-17-3- PubChem CID
- 22908239
- EC Number
- 899-197-1
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 91.1
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…