11-(Butylthio)-undecanoic acid
Basic information
- CAS
4230-06-2- Standard SMILES
CCCCSCCCCCCCCCCC(=O)O- InChIKey
WLQGZHKHDIWKQG-UHFFFAOYSA-N- Molecular formula
- C15H30O2S
- Average molar mass
- 274.5 g/mol
- Monoisotopic mass
- 274.19665137
Names & identifiers
- Preferred name
- 11-(Butylthio)-undecanoic acid
- IUPAC
- 11-butylsulfanylundecanoic acid
- English name
- 11-butylsulfanylundecanoic acid
- Molecular formula
- C15H30O2S
- Molecular weight
- 0
Names & synonyms
11-(BUTYLTHIO)-UNDECANOIC ACIDRefChem:437198653-730-24230-06-211-butylsulfanylundecanoic acid11-(butylsulfanyl)undecanoic acidNSC2332411-butylthioundecanoic acidSCHEMBL7828784DTXSID20281874NSC-23324AKOS003238603
Show more names
ST002744
Database identifiers
- CAS
4230-06-2- PubChem CID
- 229557
- DTXSID
DTXSID20281874- EC Number
- 653-730-2
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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