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1,4-Cyclohexanedicarboxylic acid Structure

1,4-Cyclohexanedicarboxylic acid

Chemical Properties

Melting point 164-167 °C(lit.)
Boiling point 262.49°C (rough estimate)
Density  1.2104 (rough estimate)
refractive index  1.4450 (estimate)
Flash point 235°C
storage temp.  Sealed in dry,Room Temperature
pka 4.38±0.10(Predicted)
form  Powder
color  White to off-white
Water Solubility  SOLUBLE
BRN  1870377
InChI InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKey PXGZQGDTEZPERC-UHFFFAOYSA-N
SMILES C1(C(O)=O)CCC(C(O)=O)CC1
CAS DataBase Reference 1076-97-7(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances 1,4-CYCLOHEXANEDICARBOXYLIC ACID
EWG's Food Scores 1
FDA UNII 13LBH83IU4
NIST Chemistry Reference 1,4-Cyclohexanedicarboxylic acid(1076-97-7)
EPA Substance Registry System 1,4-Cyclohexanedicarboxylic acid (1076-97-7)
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Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H302-H319
Precautionary statements P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Hazard Codes  Xn
Risk Statements  22-36
Safety Statements  26-36-24/25
WGK Germany  3
RTECS  GU9060000
TSCA  Yes
HS Code  29172090
NFPA 704:
0
1 0

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