Triton X-100 Structure

Triton X-100

Chemical Properties

Melting point 44-46 °C
Boiling point 250 °C(lit.)
Density  1.06 g/mL at 20 °C
vapor density  >1 (vs air)
vapor pressure  < 1.33 hPa at 20 °C
refractive index  n20/D 1.491
Flash point 535 °F
storage temp.  protect from light
solubility  H2O: 0.005 M at 20 °C, clear, colorless
form  Viscous Liquid
color  ≤100(APHA)
PH 6.5-8.5 (25℃)
Odor Odorless
PH Range 9.7
Viscosity 250-350cPneat(25°C)(lit.)
Water Solubility  Miscible with water.
Merck  14,6761
BRN  2315025
Major Application pharmaceutical (small molecule)
Cosmetics Ingredients Functions CLEANSING
SURFACTANT - CLEANSING
SURFACTANT - EMULSIFYING
Cosmetic Ingredient Review (CIR) Triton X-100 (9002-93-1)
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
InChIKey JYCQQPHGFMYQCF-UHFFFAOYSA-N
SMILES O(CCO)c1ccc(cc1)C(CC(C)(C)C)(C)C
LogP 4.610 (est)
Substances of Very High Concern (SVHC) Candidate List Polyethylene glycol p-(1,1,3,3-tetramethylbutyl)phenyl ether (9002-93-1)
Substances Added to Food (formerly EAFUS) ALPHA-(P-(1,1,3,3-TETRAMETHYLBUTYL)PHENYL)-OMEGA-HYDROXYPOLY(OXYETHYLENE)(GREATER THAN 1 MOL)
FDA 21 CFR 176.180; 176.210; 177.1680
EWG's Food Scores 4-8
FDA UNII OCTOXYNOL-12 (480KVF3EBY)
OCTOXYNOL-20 (3E2NC94VPF)
OCTOXYNOL-8 (48RF3T316O)
OCTOXYNOL-9 (7JPC6Y25QS)
OCTOXYNOL-7 (8419DEW37J)
EPA Substance Registry System Octoxynol 9 (9002-93-1)
UNSPSC Code 41116107
NACRES NA.31

Safety

Symbol(GHS) Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)
Signal wordDanger
Hazard statements H302-H315-H318-H410
Precautionary statements P264-P273-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes  Xi,Xn,N
Risk Statements  41-36/38-22-51/53-36-36/37/38-37/38-52/53
Safety Statements  26-39-36-61-36/39-36/37/39
RIDADR  UN 3082 9/PG 3
WGK Germany  3
RTECS  WZ4750000
F  3
TSCA  TSCA listed
HazardClass  9
PackingGroup  III
HS Code  34021300
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Irrit. 2
Toxicity LD50 oral in rat: 1800mg/kg
NFPA 704:
1
2 1

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