451-13-8

Name HOMOGENTISIC ACID
CAS 451-13-8
EINECS(EC#) 207-192-7
Molecular Formula C8H8O4
MDL Number MFCD00004324
Molecular Weight 168.15
MOL File 451-13-8.mol

Chemical Properties

Appearance off-white to tan crystals or crystalline powder
Melting point  150-152 °C (lit.)
Boiling point  257.07°C (rough estimate)
density  1.3037 (rough estimate)
refractive index  1.5090 (estimate)
storage temp.  2-8°C
solubility  Soluble in methanol.
form  crystalline
pka 4.4(at 25℃)
color  off-white to tan
Water Solubility  very faint turbidity
Merck  4737
BRN  2692860
Major Application food and beverages
InChI 1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
InChIKey IGMNYECMUMZDDF-UHFFFAOYSA-N
SMILES OC(=O)Cc1cc(O)ccc1O
LogP 0.860
CAS DataBase Reference 451-13-8(CAS DataBase Reference)
EPA Substance Registry System Benzeneacetic acid, 2,5-dihydroxy- (451-13-8)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
RTECS  AH0589000
TSCA  Yes
HS Code  29182900
Storage Class 13 - Non Combustible Solids

Hazard Information

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