4335-77-7

Name 2-Cyclohexylmandelic acid
CAS 4335-77-7
EINECS(EC#) 224-380-4
Molecular Formula C14H18O3
MDL Number MFCD00194543
Molecular Weight 234.29
MOL File 4335-77-7.mol

Chemical Properties

Appearance White Solid
Melting point  163 °C
Boiling point  135℃/3mm
density  1.206±0.06 g/cm3(Predicted)
RTECS  GV2770000
storage temp.  -20°C Freezer
solubility  Chloroform (Slightly), Methanol (Sparingly)
form  Solid
pka 3.49±0.25(Predicted)
color  White to pale brown
InChI 1S/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16)
InChIKey YTRNSQPXEDGWMR-UHFFFAOYSA-N
SMILES OC(=O)C(O)(C1CCCCC1)c2ccccc2
CAS DataBase Reference 4335-77-7(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
Signal word  Danger
Hazard statements  H315-H318-H335
Precautionary statements  P261-P264-P280-P280-P304+P340+P312-P305+P351+P338+P310
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
REACH Registrations Active
HazardClass  IRRITANT
HS Code  29181990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Dam. 1
Skin Irrit. 2
STOT SE 3

Hazard Information

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