1561-11-1

Name 4-METHYLHEXANOIC ACID
CAS 1561-11-1
EINECS(EC#) 216-336-8
Molecular Formula C7H14O2
MDL Number MFCD00870848
Molecular Weight 130.18
MOL File 1561-11-1.mol
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Chemical Properties

Melting point  -80°C
Boiling point  109-112 °C10 mm Hg(lit.)
bulk density 0.921g/mL
density  0.9215
refractive index  1.4211
Fp  110 °F
solubility  Chloroform (Soluble), Methanol (Sparingly)
form  Liquid
pka 4.78±0.10(Predicted)
Odor at 1.00 % in propylene glycol. sour cheesy
Odor Type sour
InChI InChI=1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey DIVCBWJKVSFZKJ-UHFFFAOYSA-N
SMILES C(C)(CC)CCC(=O)O
LogP 2.070 (est)
EPA Substance Registry System Hexanoic acid, 4-methyl- (1561-11-1)

Safety Data

Hazard Codes  C
Risk Statements 
Safety Statements 
RIDADR  UN 2920 8/PG 2
WGK Germany  2
TSCA  TSCA listed
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
Skin Corr. 1B

Hazard Information

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