12-Methyltridecanal

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Catalog Number
ACM75853495
Product Name
12-Methyltridecanal
Structure
Structure
CAS
75853-49-5
Category
Heterocyclic Organic Compound
Description
colourless to pale yellow liquid; cooked or roasted aroma
Synonyms
12-Methyltridecanal;75853-49-5;Isotetradecan-1-al;Isotetradecanal;12-MT Aldehyde;UNII-T2RF910W7E;T2RF910W7E;Tridecanal, 12-methyl-;MFCD10000650;12-Methyl-tridecanal;12-Methyl Tridecanal;EINECS 299-099-3;12-Methyltridecanal, 85%;SCHEMBL756048;DTXSID20868381;12-Methyltridecanal, Technical grade;LMFA06000257;ZINC33606582;AKOS015902044;93843-20-0;U076;FT-0672289;853M495;A838526;Q27289588
IUPAC Name
12-methyltridecanal
Molecular Weight
212.38
Molecular Formula
C14H28O
Canonical SMILES
CC(C)CCCCCCCCCCC=O
InChI
InChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3
InChI Key
OQWNKUAZQSLNSR-UHFFFAOYSA-N
Density
0.930-0.941
Solubility
Insoluble in water; soluble in heptane;soluble (in ethanol)
Complexity
129
Covalently-Bonded Unit Count
1
EC Number
299-099-3;616-272-4
Exact Mass
212.214015512g/mol
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
1
Monoisotopic Mass
212.214015512g/mol
Refractive Index
1.445-1.455
Rotatable Bond Count
11
Topological Polar Surface Area
17.1Ų
UNII
T2RF910W7E
XLogP3
5.7
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