2215-21-6

Name 3,5-DIISOPROPYLSALICYLIC ACID
CAS 2215-21-6
EINECS(EC#) 218-677-8
Molecular Formula C13H18O3
MDL Number MFCD00008884
Molecular Weight 222.28
MOL File 2215-21-6.mol
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Chemical Properties

Appearance beige to grey crystalline powder
Melting point  113-115 °C (lit.)
Boiling point  303.46°C (rough estimate)
density  1.1205 (rough estimate)
refractive index  1.4740 (estimate)
storage temp.  4°C
solubility  Soluble in organic solvents.
form  Solid
pka 3.21±0.14(Predicted)
color  White to Off-White
BRN  2505176
InChI 1S/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16)
InChIKey XUFUYOGWFZSHGE-UHFFFAOYSA-N
SMILES CC(C)c1cc(C(C)C)c(O)c(c1)C(O)=O
CAS DataBase Reference 2215-21-6(CAS DataBase Reference)
EPA Substance Registry System Benzoic acid, 2-hydroxy-3,5-bis(1-methylethyl)- (2215-21-6)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37:Irritating to eyes and respiratory system .
Safety Statements 
S22:Do not breathe dust .
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  Yes
HS Code  29182900
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
STOT SE 3

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