8.14992
Hexyl butyrate
for synthesis
Synonym(s):
Hexyl butyrate, Butyric acid hexyl ester, Hexyl butanoate
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About This Item
Empirical Formula (Hill Notation):
C10H20O2
CAS Number:
Molecular Weight:
172.26
UNSPSC Code:
12352108
EC Index Number:
220-136-6
NACRES:
NA.22
MDL number:
Quality Level
assay
≥98.0% (GC)
potency
>5000 mg/kg LD50, oral (Rat), >5000 mg/kg LD50, skin (Rabbit)
mp
-78 °C
transition temp
flash point 83 °C
density
0.865 g/cm3 at 20 °C
storage temp.
2-30°C
SMILES string
O(CCCCCC)C(=O)CCC
InChI
1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
InChI key
XAPCMTMQBXLDBB-UHFFFAOYSA-N
Analysis Note
Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.862 - 0.867
Identity (IR): passes test
Density (d 20 °C/ 4 °C): 0.862 - 0.867
Identity (IR): passes test
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Storage Class
10 - Combustible liquids
wgk
WGK 2
flash_point_f
177.8 °F - closed cup
flash_point_c
81 °C - closed cup
Regulatory Information
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 8149920250 | 04022536880051 |