54947-74-9

Name 4-Methyloctanoic acid
CAS 54947-74-9
EINECS(EC#) 259-404-2
Molecular Formula C9H18O2
MDL Number MFCD00051938
Molecular Weight 158.24
MOL File 54947-74-9.mol

Chemical Properties

Melting point  -29.5°C (estimate)
Boiling point  149 °C22 mm Hg(lit.)
density  0.91 g/mL at 25 °C(lit.)
FEMA  3575
refractive index  n20/D 1.433(lit.)
Fp  >230 °F
storage temp.  −20°C
solubility  Chloroform (Slightly), DMSO (Sparingly), Ethyl Acetate (Slightly)
form  clear liquid
pka 4.78±0.10(Predicted)
color  Colorless to Light yellow to Light orange
Odor at 10.00 % in propylene glycol. fatty waxy musty plastic dairy creamy milk
biological source synthetic
Odor Type fatty
JECFA Number 271
BRN  1755426
Major Application flavors and fragrances
InChI 1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKey LEGGANXCVQPIAI-UHFFFAOYSA-N
SMILES CCCCC(C)CCC(O)=O
LogP 3.25
CAS DataBase Reference 54947-74-9(CAS DataBase Reference)
NIST Chemistry Reference 4-Methyloctanoic acid(54947-74-9)
EPA Substance Registry System 54947-74-9(EPA Substance)

Safety Data

Symbol(GHS)  Corrosion (GHS05)
GHS05
Signal word  Danger
Hazard statements  H314
Precautionary statements  P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Hazard Codes  C,Xi,Xn
Risk Statements 
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin .
R21/22:Harmful in contact with skin and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 3265 8/PG 3
WGK Germany  1
TSCA  Yes
HazardClass  8
PackingGroup  III
HS Code  29159000
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Eye Dam. 1
Skin Corr. 1B

Hazard Information

Material Safety Data Sheet(MSDS)

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