Basic information
- CAS
3569-57-1- Standard SMILES
CCCCCCCCS(=O)CCCCl- InChIKey
WQZLBRKHBCTDOZ-UHFFFAOYSA-N- Molecular formula
- C11H23ClOS
- Average molar mass
- 238.82 g/mol
- Monoisotopic mass
- 238.1158142
Overview
Sulfoxide, 3-chloropropyl octyl appears as a liquid. (EPA, 1998)
Names & identifiers
- Preferred name
- Sulfoxide, 3-chloropropyl octyl
- IUPAC
- 1-(3-chloropropylsulfinyl)octane
- English name
- 3-CHLOROPROPYL-N-OCTYL SULFOXIDE
- Molecular formula
- C11H23ClOS
- Molecular weight
- 238.82
Names & synonyms
3569-57-13-Chloropropyl octyl sulfoxideRepellent 1207Sulfoxide, 3-chloropropyl octyl3-Chloropropyl-n-octylsulfoxideMGK repellent 1,2073-Chloropropyl N-octylsulfoxideHSDB 6431Octane, 1-((3-chloropropyl)sulfinyl)-010IDO6ICKBRN 2206063Sulfoxide, 3-chloropropyl n-octyl-
Show more names
repellent12073-chloropropylmgkrepellent1,2073-chloropropyloctylsulfoxidesulfoxide,3-chloropropyloctyl3-chloropropyloctylsulphoxide3-chloropropyln-octyl-sulfoxid3-CHLOROPROPYL-N-OCTYL SULFOXIDEChloropropyl-n-octylsulfoxide, 3-1-((3-chloropropyl)sulfinyl)-octan
DTXSID5041483CHLOROPROPYL OCTYL SULFOXIDE, 3-Octane, 1-[(3-chloropropyl)sulfinyl]-CHLOROPROPYL OCTYL SULPHOXIDE, 3-SULFOXIDE, 3-CHLOROPROPYL OCTYL [HSDB]RefChem:8897083Chloropropylnoctylsulfoxide3Chloropropyl noctylsulfoxide
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
Boiling Point338 °C @760 [mm Hg]
Vapor Pressure0.00002 [mm Hg] @25 °C
Physical Description
Sulfoxide, 3-chloropropyl octyl appears as a liquid. (EPA, 1998)
Liquid; [CAMEO]
Physicochemical properties
- Density
- 0.9958 · 0.9958 (estimate)
- FDA UNII
- 10 IDO6ICK · 010IDO6ICK
- EPA Substance Registry System
- 3 · 3-Chloropropyl octyl sulfoxide (3569-57-1)
- RIDADR
- 2810 · 2810
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- I
- Hazardous Substances Data
- 3569 · 3569-57-1(Hazardous Substances Data)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Hazards SummaryA skin and eye irritant; Can be absorbed through skin; [NJ-HSFS]
Reactive GroupHalogenated Organic Compounds
Reactivity ProfileSULFOXIDE, 3-CHLOROPROPYL OCTYL may generate flammable and toxic hydrogen sulfide with strong reducing agents.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Safety & protection
Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First AidNote: No information on specific clinical effects of exposure was available.
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Chemistry & industry
Uses & manufacturing
UsesTested for use as an agricultural chemical; [NJ-HSFS]
Applications
General DescriptionA liquid.
Suppliers2 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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