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110-39-4 | Octyl butyrate
CAS No: 110-39-4 Catalog No: AG003TH0 MDL No:MFCD00048939
Product Description
Catalog Number:
AG003TH0
Chemical Name:
Octyl butyrate
CAS Number:
110-39-4
Molecular Formula:
C12H24O2
Molecular Weight:
200.3178
MDL Number:
MFCD00048939
IUPAC Name:
octyl butanoate
InChI:
InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
InChI Key:
PWLNAUNEAKQYLH-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)CCC
EC Number:
203-762-4
UNII:
5YEU4O369L
NSC Number:
72032
FEMA Number:
2807
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.178g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.322g/mol
Monoisotopic Mass:
200.178g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Aliphatic esters as targets of esterase activity in the parsnip webworm (Depressaria pastinacella). | Journal of chemical ecology 20120201 |
| Volatile constituents of Zosimia radians Boiss. and Hohen from Iran. | Natural product research 20110601 |
| Attraction and antennal response of the common wasp, Vespula vulgaris (L.), to selected synthetic chemicals in New Zealand beech forests. | Pest management science 20090901 |
| Transesterification activity of a novel lipase from Acinetobacter venetianus RAG-1. | Antonie van Leeuwenhoek 20081101 |
| Sorption of aroma compounds in PET and PVC during the storage of a strawberry syrup. | Food additives and contaminants 20071101 |
| The bioactive essential oil of Heracleum sphondylium L. subsp. ternatum (Velen.) Brummitt. | Zeitschrift fur Naturforschung. C, Journal of biosciences 20030101 |
| Behavioral responses of the parsnip webworm to host plant volatiles. | Journal of chemical ecology 20021101 |
| Effects of furanocoumarins on feeding behavior of parsnip webworms Depressaria pastinacella. | Journal of chemical ecology 20020701 |
| Identification of female sex pheromone of the rice leaf bug, Trigonotylus caelestialium. | Journal of chemical ecology 20011201 |
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