Details
Stereochemistry | ACHIRAL |
Molecular Formula | C11H14O2 |
Molecular Weight | 178.2277 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
Stereo Comments | Assumed E-isomer (MM2 minimum energy for E and Z-isomers are 0.8489 and 6.8653 kcal/mol) |
SHOW SMILES / InChI
SMILES
CCOC1=C(O)C=C(\C=C\C)C=C1
InChI
InChIKey=RADIRXJQODWKGQ-HWKANZROSA-N
InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+
Propenyl guethanol (Vanitrope) is a synthetic compound which is used as a flavoring agent. Propenyl guethanol has sweet, vanilla (cream of soda) aroma with tobacco, anise and pudrovye notes. It is used in many flavor compositions (chocolate, maple, nut, vanilla, butterscotch, rum, caramel, etc) and occasionally used in perfumes as a sweetener or as replacement of vanillin.
Approval Year
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Classification Tree | Code System | Code | ||
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CFR |
21 CFR 172.515
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admin on Fri Dec 15 16:29:56 GMT 2023 , Edited by admin on Fri Dec 15 16:29:56 GMT 2023
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JECFA EVALUATION |
PROPENYLGUAETHOL
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admin on Fri Dec 15 16:29:56 GMT 2023 , Edited by admin on Fri Dec 15 16:29:56 GMT 2023
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C45678
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CONCEPT | Industrial Aid | ||
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63477-41-8
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1273
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PRIMARY | |||
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202-370-0
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PRIMARY | |||
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JP95W81L3F
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94-86-0
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admin on Fri Dec 15 16:29:56 GMT 2023 , Edited by admin on Fri Dec 15 16:29:56 GMT 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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C80940
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5194
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5354280
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admin on Fri Dec 15 16:29:56 GMT 2023 , Edited by admin on Fri Dec 15 16:29:56 GMT 2023
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SUBSTANCE RECORD