chempirical

Triton X-100

C16H26O2CAS 9002-93-1250.38 g/mol

Open in Covalent MOL file
OOH
AlcoholEther

Properties

Molecular formula
C16H26O2
Molar mass
250.38 g/mol
Exact mass
250.1933 Da
Density
1.07 g/mL
Melting point
above 350 °C (decomposes)
Boiling point
6 °C
logP
3.77Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
9002-93-1
SMILES
CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1
InChIKey
JYCQQPHGFMYQCF-UHFFFAOYSA-N
InChI
InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

75 names · show all
  • Poly(oxy-1,2-ethanediyl), α-[4-(1,1,3,3-tetramethylbutyl)phenyl]-ω-hydroxy-
  • Glycols, polyethylene, mono[p-(1,1,3,3-tetramethylbutyl)phenyl] ether
  • Phenol, p-(1,1,3,3-tetramethylbutyl)-, monoether with polyethylene glycol
  • Antarox A 200
  • (p-t-Octylphenoxy)polyethoxyethanol
  • α-[p-(1,1,3,3-Tetramethylbutyl)phenyl]-ω-hydroxypoly(oxyethylene)
  • Polyethylene glycol p-octylphenol ether
  • Triton X 165
  • Triton X 305
  • Polyethylene glycol mono[p-(1,1,3,3-tetramethylbutyl)phenyl] ether
  • Triton X 405
  • Triton X 100
  • Triton X 45
  • OPE 30
  • Polyethylene glycol mono(p-tert-octylphenyl) ether
  • Polyethylene glycol mono(4-octylphenyl) ether
  • Polyethylene glycol p-tert-octylphenyl ether
  • Triton X 102
  • Triton X 705
  • Poly(oxyethylene) p-tert-octylphenyl ether
  • Polyethylene glycol mono(4-tert-octylphenyl) ether
  • Polyethylene glycol p-(1,1,3,3-tetramethylbutyl)phenyl ether
  • Polyethylene glycol p-octylphenyl ether
  • Triton X 35
  • Polyoxyethylene mono(octylphenyl) ether
  • Polyoxyethylene (13) octylphenyl ether
  • Polyoxyethylene (9) octylphenyl ether
  • Preceptin
  • Hydrol SW
  • Ortho-gynol
  • p-tert-Octylphenoxy polyethoxyethanol
  • NOP 90
  • Texofor FP 300
  • Koromex II
  • Polyethylene oxide-p-tert-octylphenyl ether
  • Polyoxyethylene glycol-p-tert-octylphenyl ether
  • Polyethylene glycol p-tert-octylphenol ether
  • TX 100
  • TX 305
  • TX 102
  • Triton X 101
  • Iconol OP
  • TX 405
  • Triton X 15
  • Triton X 705-70
  • Triton X 114
  • Photo-flow 200
  • Anapoe X 114
  • Octoxynol 5
  • Nonidel P 40
  • Triton 100
  • Polyoxyethylene (10) octylphenyl ether
  • X 405
  • TX 35
  • Triton X 10
  • Criton X 100
  • X 100
  • X 305
  • Coulter dispersant IA
  • Surfac OP 30
  • Surfac OP 5
  • Polyethylene glycol octylphenol ether
  • Intra-cell
  • Anapoe X 100
  • Triton X 105
  • Lutensol OP 10
  • Surfonic OP 120
  • TOP 10
  • OPE 4
  • p-tert-Octylphenoxypolyoxyethanol
  • Triton X 209
  • TX 165
  • FP 300
  • Dow 405
  • Octoxinol 9

Work with Triton X-100

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hydroquinone bis(2-hydroxyethyl) ether104-38-155 % similar 4-tert-Octylphenol140-66-953 % similar 4-Ethoxy-β,β-dimethylbenzeneethanol83493-63-451 % similar Bisphenoxyethanolfluorene117344-32-848 % similar Ethylene oxide-formaldehyde-4-(1,1,3,3-tetramethylbutyl)phenol copolymer25301-02-447 % similar Benzethonium chloride121-54-046 % similar 2-(4-Chlorophenoxy)ethanol1892-43-946 % similar 2-(4-Bromophenoxy)ethanol34743-88-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Sclareolide564-20-5 1,4-Bis(1,1-dimethylethyl)-2,5-dimethoxybenzene7323-63-9 2,5-Bis(1,1-dimethylpropyl)-1,4-benzenediol79-74-3

Elsewhere

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