8.14993
3-Methylbutyl isovalerate
for synthesis
Synonym(s):
3-Methylbutyl isovalerate, Isopentyl isopentanoate, Isoamyl isovalerate
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About This Item
Empirical Formula (Hill Notation):
C10H20O2
CAS Number:
Molecular Weight:
172.26
UNSPSC Code:
12352108
EC Index Number:
211-536-1
NACRES:
NA.22
MDL number:
vapor pressure
0.8 hPa ( 20 °C)
Quality Segment
potency
>5000 mg/kg LD50, oral (Rat), >5000 mg/kg LD50, skin (Rabbit)
bp
195 °C/1013 hPa
transition temp
flash point 80 °C
solubility
0.016 g/L
density
0.855 g/cm3 at 25 °C
storage temp.
2-30°C
SMILES string
O(CCC(C)C)C(=O)CC(C)C
InChI
1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3
InChI key
XINCECQTMHSORG-UHFFFAOYSA-N
Analysis Note
Assay isomers (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.852 - 0.857
Identity (IR): passes test
Density (d 20 °C/ 4 °C): 0.852 - 0.857
Identity (IR): passes test
hcodes
pcodes
Hazard Classifications
Aquatic Chronic 2
Storage Class
10 - Combustible liquids
wgk
WGK 2
flash_point_f
176.0 °F
flash_point_c
80 °C
Certificates of Analysis (COA)
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