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Triton X-100 Structure

Triton X-100

  • Product NameTriton X-100
  • CAS9002-93-1
  • CBNumberCB6682291
  • MF(C2H4O)nC14H22O
  • MW324.41192
  • EINECS618-344-0
  • MDL NumberMFCD00132851
  • MOL File9002-93-1.mol

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
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)
EPA Substance Registry System Octoxynol 9 (9002-93-1)

Safety

Symbol(GHS)  Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)
GHS05,GHS07,GHS09
Signal word  Danger
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
Limited Quantities 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704:
1
2 1

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