Basic information
- CAS
14481-52-8- Standard SMILES
CC1=CCC(C(C)(C)OC(=O)c2ccccc2N)CC1- InChIKey
UHUIKPAIJHOKNF-UHFFFAOYSA-N- Molecular formula
- C17H23NO2
- Average molar mass
- 273.37 g/mol
- Monoisotopic mass
- 273.17287898
Overview
Alpha-Terpinyl anthranilate is a monoterpenoid.
Names & identifiers
- Preferred name
- Terpinyl o-aminobenzoate
- IUPAC
- 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-aminobenzoate
- English name
- 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 2-aminobenzoate
- Molecular formula
- C17H23NO2
- Molecular weight
- 273.37
Names & synonyms
alpha-Terpinyl anthranilateTerpinyl O-aminobenzoate14481-52-8Terpinyl anthranilateTerpinyl 2-aminobenzoate2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-aminobenzoateFEMA No. 3048P-Menth-1-en-8-yl anthranilateHZM3IZJ9S6P-Menth-1-en-8-yl 2-aminobenzoateP-Mentha-1-en-8-yl 2-aminobenzoate3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 2-aminobenzoate
Show more names
BETA-TERPINYLANTHRANILATEALPHA-TERPINYLANTHRANILATE3-Cyclohexene-1-methanol, α,α,4-trimethyl-, 1-(2-aminobenzoate)
1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl anthranilateDTXSID70864510Anthranilic acid, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester.ALPHA.-TERPINYL ANTHRANILATEalpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl 2-aminobenzoate.BETA.-TERPINYL ANTHRANILATE [FHFI]3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 2-aminobenzoate3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-(2-aminobenzoate)
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 386
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.052-1.058 (15.5 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; Soluble in fats
Soluble (in ethanol)
Boiling Point
365.00 °C. @ 760.00 mm Hg
365 °C
Refractive Index1.480-1.486
Physical DescriptionColourless to yellow liquid; Complex fruity aroma
Physicochemical properties
- Boiling point
- 387.2 · 387.2±15.0 °C(Predicted)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- FLAVIS Number
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 2-aminobenzoate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 2-aminobenzoate: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
UsesAlpha-terpinyl anthranilate is used in variations of Orange blossom, Honeysuckle and other heavy florals, Oriental fragrance types, etc. It is also used in fruit flavour compositions in concentrations equal to 1 to 6 ppm in the finished product.
Preparation methods
PreparationPrepared by esterification of anthranilic acid with terpineol.
Suppliers1 total
BOC Sciences[email protected]
Additional notes
DefinitionChEBI: Alpha-Terpinyl anthranilate is a monoterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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