U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
Structure of PROPENYL GUAETHOL

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+

HIDE SMILES / InChI
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

Name Type Language
PROPENYL GUAETHOL
II  
Common Name English
PROPENYLGUAETHOL [FCC]
Common Name English
ISOSAFROEUGENOL
Common Name English
NSC-5194
Code English
PROPENYL GUAETHOL [II]
Common Name English
HYDROXYMETHYL ANETHOLE
Systematic Name English
2-ETHOXY-5-PROPENYLPHENOL
Systematic Name English
PROPENYLGUAETHOL [FHFI]
Common Name English
2-ETHOXY-5-PROPENYL-PHENOL
Systematic Name English
2-ETHOXY-5-(1-PROPENYL)PHENOL
Systematic Name English
FEMA NO. 2922
Code English
PROPENYLGUAETHOL
FCC   FHFI  
Common Name English
PHENOL, 2-ETHOXY-5-(1-PROPENYL)-
Systematic Name English
5-PROPENYLGUAETHOL
Common Name English
VANITROPE
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 16:29:56 GMT 2023 , Edited by admin on Fri Dec 15 16:29:56 GMT 2023
JECFA EVALUATION PROPENYLGUAETHOL
Created by admin on Fri Dec 15 16:29:56 GMT 2023 , Edited by admin on Fri Dec 15 16:29:56 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C45678
Created by admin on Fri Dec 15 16:29:56 GMT 2023 , Edited by admin on Fri Dec 15 16:29:56 GMT 2023
CONCEPT Industrial Aid
CAS
63477-41-8
Created by admin on Fri Dec 15 16:29:56 GMT 2023 , Edited by admin on Fri Dec 15 16:29:56 GMT 2023
PRIMARY
JECFA MONOGRAPH
1273
Created by admin on Fri Dec 15 16:29:56 GMT 2023 , Edited by admin on Fri Dec 15 16:29:56 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-370-0
Created by admin on Fri Dec 15 16:29:56 GMT 2023 , Edited by admin on Fri Dec 15 16:29:56 GMT 2023
PRIMARY
FDA UNII
JP95W81L3F
Created by admin on Fri Dec 15 16:29:56 GMT 2023 , Edited by admin on Fri Dec 15 16:29:56 GMT 2023
PRIMARY
CAS
94-86-0
Created by admin on Fri Dec 15 16:29:56 GMT 2023 , Edited by admin on Fri Dec 15 16:29:56 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
NCI_THESAURUS
C80940
Created by admin on Fri Dec 15 16:29:56 GMT 2023 , Edited by admin on Fri Dec 15 16:29:56 GMT 2023
PRIMARY
NSC
5194
Created by admin on Fri Dec 15 16:29:56 GMT 2023 , Edited by admin on Fri Dec 15 16:29:56 GMT 2023
PRIMARY
PUBCHEM
5354280
Created by admin on Fri Dec 15 16:29:56 GMT 2023 , Edited by admin on Fri Dec 15 16:29:56 GMT 2023
PRIMARY