111-11-5

Name Caprylic acid methyl ester
CAS 111-11-5
EINECS(EC#) 203-835-0
Molecular Formula C9H18O2
MDL Number MFCD00009551
Molecular Weight 158.24
MOL File 111-11-5.mol

Chemical Properties

Appearance clear colorless liquid
Melting point  -40°C
Boiling point  79 °C
density  0.878
vapor pressure  1.33 hPa (34.2 °C)
FEMA  2728
refractive index  n20/D 1.418
Fp  163 °F
storage temp.  −20°C
solubility  water: insoluble
form  Liquid
color  Clear colorless
Odor at 100.00 %. waxy green sweet orange aldehydic vegetable herbal
biological source synthetic
Odor Type waxy
Water Solubility  Insoluble in water.
JECFA Number 173
BRN  1752270
Henry's Law Constant 1.2×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004)
Dielectric constant 4.1299999999999999
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
SKIN CONDITIONING - EMOLLIENT
SKIN CONDITIONING
InChI 1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKey JGHZJRVDZXSNKQ-UHFFFAOYSA-N
SMILES CCCCCCCC(=O)OC
LogP 3.37
Uses
Intermediate for caprylic acid detergents, emulsifiers, wetting agents, stabilizers, resins, lubricants, plasticizers, flavoring.
CAS DataBase Reference 111-11-5(CAS DataBase Reference)
NIST Chemistry Reference Octanoic acid, methyl ester(111-11-5)
EPA Substance Registry System 111-11-5(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H227
Precautionary statements  P280-P370+P378r-P403+P235-P501c
Hazard Codes  Xi
Risk Statements 
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  1
RTECS  RH0778000
TSCA  Yes
REACH Registrations Active
HS Code  29159080
Storage Class 10 - Combustible liquids
Hazardous Substances Data 111-11-5(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: > 2000 mg/kg

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

Supplier