2-[2-(9,9-Dimethyldecylsulfanyl)ethoxy]ethanol
Basic information
- CAS
110453-36-6- Standard SMILES
CC(C)(C)CCCCCCCCSCCOCCO- InChIKey
RPMGCDFPDJACFM-UHFFFAOYSA-N- Molecular formula
- C16H34O2S
- Average molar mass
- 290.5 g/mol
- Monoisotopic mass
- 290.2279515
Overview
See also: Ethoxylated Thioether (annotation moved to).
Names & identifiers
- Preferred name
- 2-[2-(9,9-Dimethyldecylsulfanyl)ethoxy]ethanol
- IUPAC
- 2-[2-(9,9-dimethyldecylsulfanyl)ethoxy]ethanol
- English name
- Poe (12) tert-dodecylmercaptoethanol
- Molecular formula
- (C2H4O)nC14H30OS
- Molecular weight
- 0
Names & synonyms
9004-83-52-[2-(9,9-dimethyldecylsulfanyl)ethoxy]ethanolPOE (12) tert-dodecylmercaptoethanol2-{2-[(9,9-Dimethyldecyl)sulfanyl]ethoxy}ethan-1-olSCHEMBL16046448DTXSID00911687110453-36-6nonic218alcodetmc2000emulphogenelm-710DODECYLTHIOETHOXYLATEAlkylmercaptanethyoxylate
Show more names
dodecyl mercaptan, ethoxylatedpolyoxyethylated(c9-10)alkylthioetherEthoxylated Mercaptan Polyether Nonionic SurfactantPoly(oxy-1,2-ethanediyl),a-[2-(tert-dodecylthio)ethyl]-w-hydroxy-alpha-[2-(tert-dodecylthio)ethyl]-omega-hydroxy-poly(oxy-2-ethanediyl)
Database identifiers
- CAS
110453-36-6、9004-83-5- PubChem CID
- 197115
- DTXSID
DTXSID00911687
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
PolymersOther Classes -> Polyoxyethylenes
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
CBI
White to pale yellow viscous liquid with a mild odor; [Rhodia MSDS]
Physicochemical properties
- CAS DataBase Reference
- 9004 · 9004-83-5
- Indirect Additives used in Food Contact Substances
- TERT-DODECYL THIOETHER OF POLYETHYLENE GLYCOL
- FDA 21 CFR
- 176.18 · 176.180
- EPA Substance Registry System
- Poly(oxy-1,2-ethanediyl), .alpha.-[2-(tert-dodecylthio)ethyl]-.omega.-hydroxy- (9004-83-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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
Regulatory Information
Chemical: Poly(oxy-1,2-ethanediyl), .alpha.-[2-(tert-dodecylthio)ethyl]-.omega.-hydroxy-
Poly(oxy-1,2-ethanediyl), .alpha.-[2-(tert-dodecylthio)ethyl]-.omega.-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Poly(oxy-1,2-ethanediyl), .alpha.-[2-(tert-dodecylthio)ethyl]-.omega.-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.
Poly(oxy-1,2-ethanediyl), .alpha.-2-(tert-dodecylthio)ethyl-.omega.-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA severe skin and eye irritant; [RTECS] A skin and severe eye irritant; [Rhodia MSDS]
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H412-H319
- Precautionary statements
- P273-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA]
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Poly(oxy-1,2-ethanediyl), .alpha.-[2-(tert-dodecylthio)ethyl]-.omega.-hydroxy-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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