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 8.1745 and 12.8451 kcal/mol) |
SHOW SMILES / InChI
SMILES
CCCC(=O)OC\C=C\C1=CC=CC=C1
InChI
InChIKey=YZYPQKZWNXANRB-UXBLZVDNSA-N
InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6+
Approval Year
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CFR |
21 CFR 172.515
Created by
admin on Fri Dec 15 17:10:14 GMT 2023 , Edited by admin on Fri Dec 15 17:10:14 GMT 2023
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JECFA EVALUATION |
CINNAMYL BUTYRATE
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admin on Fri Dec 15 17:10:14 GMT 2023 , Edited by admin on Fri Dec 15 17:10:14 GMT 2023
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30528
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C022299
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TKZ9V37P1G
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78761-39-4
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5355254
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691
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PRIMARY | |||
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103-61-7
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admin on Fri Dec 15 17:10:14 GMT 2023 , Edited by admin on Fri Dec 15 17:10:14 GMT 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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203-128-7
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admin on Fri Dec 15 17:10:14 GMT 2023 , Edited by admin on Fri Dec 15 17:10:14 GMT 2023
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PRIMARY |
SUBSTANCE RECORD
