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=CC=C(\C=C\C)C=C1O
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+
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
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
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:29:35 GMT 2025
by
admin
on
Mon Mar 31 18:29:35 GMT 2025
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| Record UNII |
JP95W81L3F
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| Record Status |
Validated (UNII)
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| Record Version |
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CFR |
21 CFR 172.515
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admin on Mon Mar 31 18:29:35 GMT 2025 , Edited by admin on Mon Mar 31 18:29:35 GMT 2025
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JECFA EVALUATION |
PROPENYLGUAETHOL
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admin on Mon Mar 31 18:29:35 GMT 2025 , Edited by admin on Mon Mar 31 18:29:35 GMT 2025
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| Code System | Code | Type | Description | ||
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C45678
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CONCEPT | Industrial Aid | ||
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DTXSID7047726
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PRIMARY | |||
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63477-41-8
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PRIMARY | |||
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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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PRIMARY | |||
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94-86-0
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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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PRIMARY |