Triton X-100.5

HCID 560774CAS 2315-64-2
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Basic information

Standard SMILES
CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCO)cc1
InChIKey
WQBPSJIAFZCNBR-UHFFFAOYSA-N
Molecular formula
C24H42O6
Average molar mass
426.6 g/mol
Monoisotopic mass
426.29813906

Names & identifiers

Preferred name
Triton X-100.5
IUPAC
2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
English name
OCTOXYNOL-5
Molecular formula
C24H42O6
Molecular weight
426.59

Names & synonyms

2315-64-2Triton X-100.5DTXSID90177730RefChem:1100553DTXCID501002213,6,9,12-Tetraoxatetradecan-1-ol, 14-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-14-(4-(1,1,3,3,Tetramethylbutyl)phenoxy)-3,6,9,12-tetraoxatetradecan-1-ol3,6,9,12-Tetraoxatetradecan-1-ol, 14-(4-(1,1,3,3-tetramethylbutyl)phenoxy)-Octoxinol 10 CRSSCHEMBL284766464-tert-Octylphenol pentaethoxylateAKOS024386352
Show more names
POPE-4Branched octylphenol (ethoxylate)5p-Tert-octylphenol polyoxyethylene etherp-Tert-octylphenol-ethylene oxide condensate4-tert-Octylphenol pentaethoxylate in isooctane14-(4-tert-Octylphenoxy)-3,6,9,12-tetraoxatetradecane-1-ol14-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]-3,6,9,12-tetraoxatetradecan-1-ol
14-[4-(2,4,4-TRIMETHYLPENTAN-2-YL)PHENOXY]-3,6,9,12-TETRAOXATETRADECAN-1-OLNS00126411ST5103745714-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]-3,6,9,12-tetraoxatetradecan-1-ol #2-{2-[2-(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethoxy)ethoxy]ethoxy }ethan-1-ol

Database identifiers

CAS
2315-64-2
PubChem CID
560774
DTXSID
DTXSID90177730
Nikkaji
J143.888C

Properties

Computed structural properties

XLogP
4
Topological polar surface area
66.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
18
Heavy atoms
30

Physicochemical properties

Boiling point
512.9 · 512.9±50.0 °C(Predicted)
Density
1.03 · 1.030-1.040 g/cm3(Temp: 25 °C)
pka
14.36 · 14.36±0.10(Predicted)

Chemistry & industry

Suppliers13 total

江西益众化工有限公司15307925109 15350027073 · [email protected]
上海毕合生物化学技术有限公司13816464724 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]

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