Catalog Number
ACM24717859
Product Name
Citronellyl tiglate
Category
Heterocyclic Organic Compound
Synonyms
Citronellyl trans-2-methyl-2-butenoate
IUPAC Name
3,7-Dimethyloct-6-enyl (E)-2-methylbut-2-enoate
Molecular Formula
C15H26O2
Canonical SMILES
CC=C(C)C(=O)OCCC(C)CCC=C(C)C
InChI
InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6+
InChI Key
UCFQYMKLDPWFHZ-MKMNVTDBSA-N
Density
0.903 g/mL at 25 °C(lit.)
Solubility
Practically insoluble to insoluble in water
Appearance
Colorless clear liquid (est)
Isomeric SMILES
C/C=C(\C)/C(=O)OCCC(C)CCC=C(C)C
Monoisotopic Mass
238.193280068
Refractive Index
n20/D 1.465(lit.)
Topological Polar Surface Area
26.3 Ų
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