2-Thiocyanatoethyl laurate
Basic information
- CAS
301-11-1- Standard SMILES
CCCCCCCCCCCC(=O)OCCSC#N- InChIKey
DXTLBEQSVNRVKT-UHFFFAOYSA-N- Molecular formula
- C15H27NO2S
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.17625028
Names & identifiers
- Preferred name
- 2-Thiocyanatoethyl laurate
- IUPAC
- 2-thiocyanatoethyl dodecanoate
- English name
- 2-thiocyanatoethyl laurate
- Molecular formula
- C15H27NO2S
- Molecular weight
- 285.45
Names & synonyms
2-Thiocyanatoethyl laurateLETHANE 602-Thiocyanoethyl laurate301-11-1Dodecanoic acid 2-thiocyanatoethyl ester97ASW478C9NSC-403654RefChem:1064847206-109-12-Thiocyanatoethyl dodecanoateLethane 384 special2-Thiocyanoethyl coconate
Show more names
ENT-5LETHANE 60)Lethane 60 (Rohm&Haas)Lauric acid 2-thiocyanatoethylLauric acid 2-thiocyanatoethyl ester
2-Thiocyanoethyl dodecanoateDodecanoic acid, 2-thiocyanatoethyl esterThiocyanic acid, 2-hydroxyethyl ester laurate (ester)Lauric acid, 2-thiocyanatoethyl esterCaswell No. 085beta-Thiocyanoethyl laurateENT 5EINECS 206-109-1
Database identifiers
- CAS
301-11-1- PubChem CID
- 9319
- DTXSID
DTXSID8041456- UNII
- 97ASW478C9
- EC Number
- 206-109-1
- Nikkaji
- J5.477A
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 0.1 · bp0.1 160-190°
- Density
- 1.066 · 1.0660 (rough estimate)
- refractive index
- 1.75 · 1.7500 (estimate)
- FDA UNII
- 97 ASW478C9 · 97ASW478C9
- EPA Substance Registry System
- 2 · 2-Thiocyanatoethyl dodecanoate (301-11-1)
- RIDADR
- 2902 · 2902
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- Toxicity
- 50 in · LD50 in rats, rabbits, dogs (mg/kg): 500, 200, 250 orally (Kenaga)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 2902
- Toxicity
- LD50 in rats, rabbits, dogs (mg/kg): 500, 200, 250 orally (Kenaga)
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Applications
UsesInsecticide.
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Compound notes
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