77-55-4

Name 1-Phenylcyclopentanecarboxylic acid
CAS 77-55-4
EINECS(EC#) 201-037-7
Molecular Formula C12H14O2
MDL Number MFCD00001372
Molecular Weight 190.24
MOL File 77-55-4.mol
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Chemical Properties

Appearance CREAM TO GREY-BROWN POWDER
Melting point  159-161 °C(lit.)
Boiling point  285.75°C (rough estimate)
density  1.0486 (rough estimate)
refractive index  1.4970 (estimate)
storage temp.  2-8°C
solubility  slightly sol. in Methanol
form  Powder
pka 4.39±0.20(Predicted)
color  Cream to gray-brown
BRN  1638653
InChI InChI=1S/C12H14O2/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)
InChIKey RHPCYZLXNNRRMB-UHFFFAOYSA-N
SMILES C1(C2=CC=CC=C2)(C(O)=O)CCCC1
CAS DataBase Reference 77-55-4(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi,C
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns.
Safety Statements 
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
WGK Germany  3
HazardClass  IRRITANT
HS Code  29163990

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Material Safety Data Sheet(MSDS)

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