1-Ethylhexyl tiglate

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Catalog Number
ACM94133923
Product Name
1-Ethylhexyl tiglate
Structure
Structure
CAS
94133-92-3
Category
Heterocyclic Organic Compound
Synonyms
(E)-2-Methyl-2-butenoic acid 1-ethylhexyl ester
IUPAC Name
Octan-3-yl (E)-2-methylbut-2-enoate
Molecular Weight
212.33
Molecular Formula
C13H24O2
Canonical SMILES
CCCCCC(CC)OC(=O)C(=CC)C
InChI
InChI=1S/C13H24O2/c1-5-8-9-10-12(7-3)15-13(14)11(4)6-2/h6,12H,5,7-10H2,1-4H3/b11-6+
InChI Key
LMBAQNNBRWRROG-IZZDOVSWSA-N
Boiling Point
268 °C
Flash Point
210 °F
Density
0.882 g/mL at 25 °C(lit.)
Solubility
Completely miscible with alcohol and diluted alcohol
EC Number
302-757-5
Exact Mass
212.177630004
H-Bond Acceptor
2
H-Bond Donor
0
Isomeric SMILES
CCCCCC(CC)OC(=O)/C(=C/C)/C
Monoisotopic Mass
212.177630004
Refractive Index
n20/D 1.444(lit.)
Topological Polar Surface Area
26.3 Ų
WGK Germany
3
MSDS
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COA
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Spec Sheet
Download Spec Sheet
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