8.14927
Methyl octanoate
for synthesis
Synonym(s):
Methyl octanoate, Methyl caprylate
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About This Item
Empirical Formula (Hill Notation):
C9H18O2
CAS Number:
Molecular Weight:
158.24
UNSPSC Code:
12352108
EC Index Number:
203-835-0
NACRES:
NA.22
MDL number:
Assay:
≥98.0% (GC)
Form:
liquid
vapor pressure
1.33 hPa ( 34.2 °C)
Quality Level
assay
≥98.0% (GC)
form
liquid
potency
>2000 mg/kg LD50, oral (Rat)
bp
193 °C/1013 hPa
mp
-40 °C
transition temp
flash point 68 °C
density
0.877 g/cm3 at 20 °C
storage temp.
2-30°C
SMILES string
O(C)C(=O)CCCCCCC
InChI
1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChI key
JGHZJRVDZXSNKQ-UHFFFAOYSA-N
Analysis Note
Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.874 - 0.878
Identity (IR): passes test
Density (d 20 °C/ 4 °C): 0.874 - 0.878
Identity (IR): passes test
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Storage Class
10 - Combustible liquids
wgk
WGK 1
flash_point_f
179.6 °F - closed cup
flash_point_c
82 °C - closed cup
Certificates of Analysis (COA)
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