3971-31-1

Name 1,3-Cyclohexanedicarboxylic acid
CAS 3971-31-1
EINECS(EC#) 432-490-0
Molecular Formula C8H12O4
MDL Number MFCD00134411
Molecular Weight 172.18
MOL File 3971-31-1.mol

Chemical Properties

Melting point  132-141 °C(lit.)
Boiling point  332.4±25.0 °C(Predicted)
density  1.314±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  soluble in Methanol
form  powder to crystal
pka 4.32±0.13(Predicted)
color  White to Almost white
InChI InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKey XBZSBBLNHFMTEB-UHFFFAOYSA-N
SMILES C1(C(O)=O)CCCC(C(O)=O)C1
CAS DataBase Reference 3971-31-1(CAS DataBase Reference)
EPA Substance Registry System 3971-31-1(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R41:Risk of serious damage to eyes.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
TSCA  TSCA listed
REACH Registrations Inactive
HS Code  29172090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

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