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hexyl butanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM100173

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₀H₂₀O₂

charge

mass

172.14633

reference

InChIKey

XAPCMTMQBXLDBB-UHFFFAOYSA-N

InChI

InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3

SMILES

CCCCCCOC(=O)CCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-22638 metacycM:CPD-22638 CHEBI:87559 chebi:87559	hexyl butanoate hexyl butyrate
hmdb:HMDB0033620	Hexyl butyrate 1-Hexyl butyrate Butanoic acid, hexyl ester Butyric acid, hexyl ester Hexyl butanoate Hexyl butyric acid N-Hexyl N-butanoate N-Hexyl N-butyrate N-Hexyl butanoate N-Hexyl butyrate butanoic acid, hexyl ester hexyl butanoate
lipidmaps:LMFA07010419 lipidmapsM:LMFA07010419	hexyl butyrate WE 10:0 WE(6:0/4:0) hexyl butyrate
hmdb:HMDB33620	secondary/obsolete/fantasy identifier