3-(Dodecylthio)propionic acid
Basic information
- CAS
1462-52-8- Standard SMILES
CCCCCCCCCCCCSCCC(=O)O- InChIKey
VKLOPQHLJNFYKK-UHFFFAOYSA-N- Molecular formula
- C15H30O2S
- Average molar mass
- 274.5 g/mol
- Monoisotopic mass
- 274.19665137
Names & identifiers
- Preferred name
- 3-(Dodecylthio)propionic acid
- IUPAC
- 3-dodecylsulfanylpropanoic acid
- English name
- 3-(dodecylthio)propionic acid
- Molecular formula
- C15H30O2S
- Molecular weight
- 274.46
Names & synonyms
3-(Dodecylthio)propionic acid1462-52-83-(Dodecylthio)propanoic acidPropanoic acid, 3-(dodecylthio)-3-Dodecylthiopropionic acidLaurylmercaptopropionic acidJO2D9SOE2RPropionic acid, 3-(dodecylthio)-EINECS 215-967-6NSC 408524NSC-4085243-LAURYLTHIOPROPIONIC ACID
Show more names
3-(Laurylthio)propionic Acid3-(dodecylthio)-propanoic aci3-(Dodecylthio)propionicAcid>Propanoic acid,3-(dodecylthio)-
DTXSID80883676RefChem:495133DTXCID50200396215-967-63-Dodecylthiopropanoic acid3-dodecylsulfanylpropanoic acid3-(dodecylsulfanyl)propanoic acidMFCD00087155
Database identifiers
- CAS
1462-52-8- PubChem CID
- 73834
- DTXSID
DTXSID80883676- UNII
- JO2D9SOE2R
- EC Number
- 215-967-6
- Nikkaji
- J117.254I
Properties
Computed structural properties
- XLogP
- 6
- 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
- Melting point
- 59 to · 59.0 to 63.0 °C
- Boiling point
- 397.5 · 397.5±25.0 °C(Predicted)
- Density
- 0.963 · 0.963±0.06 g/cm3(Predicted)
- pka
- 4.37 · 4.37±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- FDA UNII
- 2 D9SOE2R · JO2D9SOE2R
- EPA Substance Registry System
- 3 · 3-Dodecylthiopropanoic acid (1462-52-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- TSCA
- TSCA listed
- HS Code
- 2930909899 · 2930909899
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 40 reports by companies from 3 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
- tsca
- TSCA listed
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 3-(dodecylthio)-: INACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…