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Merck
CN

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:
2639-63-6
Molecular Weight:
172.26
MDL number:
MFCD00048884
UNSPSC Code:
12352108
EC Index Number:
220-136-6
NACRES:
NA.22

Key Documents

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Quality Level

200

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

Storage Class Code

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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