Basic information
- CAS
126-86-3- Standard SMILES
CC(C)CC(C)(O)C#CC(C)(O)CC(C)C- InChIKey
LXOFYPKXCSULTL-UHFFFAOYSA-N- Molecular formula
- C14H26O2
- Average molar mass
- 226.35 g/mol
- Monoisotopic mass
- 226.19328007
Overview
a non-ionic surfactant; structure in first source
Names & identifiers
- Preferred name
- 2,4,7,9-Tetramethyl-5-decyne-4,7-diol
- IUPAC
- 2,4,7,9-tetramethyldec-5-yne-4,7-diol
- English name
- 2,4,7,9-Tetramethyl-5-decyne-4,7-diol
- Molecular formula
- C14H26O2
- Molecular weight
- 226.35
Names & synonyms
126-86-32,4,7,9-TETRAMETHYL-5-DECYNE-4,7-DIOLSurfynol 104Surfynol 104ATETRAMETHYL DECYNEDIOLSurfynol 104ESyrfynol 1045-Decyne-4,7-diol, 2,4,7,9-tetramethyl-1,4-Diisobutyl-1,4-dimethylbutynediolAcetylenol E 00Zetasperse 1200Surynol 104
Show more names
TMDD2,4,7,9-TETRAMETHYL-5-DECYN-4,7-DIOLTL-104surfynol1042,4,7,9-tetramethyldec-5-yne-4,7-diolS-104PD 30NSC 5630syrfynol104
Olfine PD 301DTXSID7027041B9Y126NY8KNSC-5630DTXCID307041TMDD cpdRefChem:443020204-809-1
Database identifiers
- CAS
126-86-3- PubChem CID
- 31362
- DTXSID
DTXSID7027041- ChEMBL
CHEMBL2143891- UNII
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Other Organic Compounds
Industrial compound
CosmeticsAntifoaming
Melting Point47 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Other Solid; Liquid; Other Solid; Liquid
White to pale yellow melt; [MSDSonline]
Other Experimental PropertiesWAXY OR POWDERED SOLIDS OR LIQUIDS; NONFOAMING, NONIONIC /SURFYNOL/
Physicochemical properties
- Melting point
- 42 · 42-44 °C(lit.)
- Boiling point
- 255 °C · 255 °C(lit.)
- Density
- 0 · 0,89 g/cm3
- vapor pressure
- 0.66 Pa · 0.66Pa at 20℃
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
This chemical does not meet GHS hazard criteria for 1.9% (37 of 1913) of reports.
Danger
H317 (33.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1913 reports by companies from 24 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 5-Decyne-4,7-diol, 2,4,7,9-tetramethyl-
5-Decyne-4,7-diol, 2,4,7,9-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 5-Decyne-4,7-diol, 2,4,7,9-tetramethyl- 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)
REACH registered substance: 2,4,7,9-tetramethyldec-5-yne-4,7-diol (EC: 204-809-1)
Tetramethyl decyndiol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Emergency treatment: Detergents and soaps; [HSDB] Caused somnolence in lethal-dose inhalation studies of rats; Caused tremor and convulsions in feeding studies of dogs; [RTECS] A skin and eye irritant, based on animal studies; [eChemPortal: HPVIS] A severe eye irritant; [MSDSonline]
Hazard Classes and CategoriesSkin Sens. 1 (33.6%)
Safety & protection
Chemistry & industry
Uses & manufacturing
Uses
Used as a wetting agent (pesticides), rinsing aid, viscosity reducer, penetrating agent, defoamer (paints, adhesives, and dyes), and additive to metalworking fluids; [HSDB]
Metal Machining [Category: Heat or Machine]
WETTING & FOAM SUPPRESSION; RINSING AIDS; VISCOSITY REDN; DETERGENT FORMULATIONS; PENETRATING AGENTS /SURFYNOL/
DEFOAMER-EG, IN PAINTS, COATINGS, ADHESIVES, DYE PRODN
WETTING AGENT IN PESTICIDE FORMULATIONS
LUBRICITY ADDITIVE IN METALWORKING FORMULATIONS
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 5,000,000 - <10,000,000 lb
(1979) No Data
Consumption PatternsDEFOAMER IN WATER-BASED PAINTS & COATINGS, 45%; DEFOAMER IN WATER-BASED PRESSURE-SENSITIVE ADHESIVES, 35%; WETTING AGENT IN PESTICIDE FORMULATIONS, 15%; MISC, 5% (1982)
Consumer UsesMonomers
Industry UsesNot Known or Reasonably Ascertainable
Methods of ManufacturingREACTION OF ACETYLENE WITH METHYL ISOBUTYL KETONE IN PRESENCE OF POTASSIUM HYDROXIDE
Formulations/PreparationsSURFY-NOL: TRADEMARK FOR GROUP OF ORGANIC SURFACE-ACTIVE AGENTS /SURFY-NOL/
Household ProductsInformation on 14 consumer products that contain 2,4,7,9-Tetramethyl-5-decyne-4,7-diol in the following categories is provided:
Use Classification
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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