Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.2649 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
| Stereo Comments | Assumed E-isomer (MM2 minimum energy of E and Z are 7.5343 and 12.9140 kcal/mol) |
SHOW SMILES / InChI
SMILES
CC(C)C(=O)OC\C=C\C1=CC=CC=C1
InChI
InChIKey=KLKQSZIWHVEARN-RMKNXTFCSA-N
InChI=1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+
Approval Year
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CFR |
21 CFR 172.515
Created by
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JECFA EVALUATION |
CINNAMYL ISOBUTYRATE
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5355851
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C022299
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C286CMK03D
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184
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203-126-6
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103-59-3
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MAJOR COMPONENT STRUCTURE/SEQUENCE | |||
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SUB76058
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110682-09-2
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100000137607
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46133
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DTXSID6047608
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SUBSTANCE RECORD
