1,3-Propylenediaminetertaacetic acid Structure

1,3-Propylenediaminetertaacetic acid

Chemical Properties

Melting point ~250 °C (dec.)
Boiling point 620.5±55.0 °C(Predicted)
Density  1.507±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
Water Solubility  Soluble in water
form  powder to crystal
pka 1.45±0.10(Predicted)
color  White to Almost white
BRN  1716449
InChI InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKey DMQQXDPCRUGSQB-UHFFFAOYSA-N
SMILES C(N(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O
CAS DataBase Reference 1939-36-2(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 3F6OA94EER
EPA Substance Registry System Trimethylenediaminetetraacetic acid (1939-36-2)
UNSPSC Code 12352116
NACRES NA.22

Safety

Symbol(GHS) Corrosion (GHS05)Exclamation Mark (GHS07)Health Hazard (GHS08)
Signal wordDanger
Hazard statements H302-H318-H361
Precautionary statements P201-P280-P301+P312+P330-P305+P351+P338+P310-P308+P313
Hazard Codes  Xn,N
Risk Statements  22-41-50/53-62-63
Safety Statements  22-26-39-60-61-36/37
RIDADR  UN3077 9/PG 3
WGK Germany  2
RTECS  MC1082500
TSCA  TSCA listed
HS Code  2922.49.8000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1
Repr. 2
NFPA 704:
0
2 0

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1,3-Propylenediaminetertaacetic acid Spectrum