Hexyl anthranilate
Basic information
- CAS
18189-05-4- Standard SMILES
CCCCCCOC(=O)c1ccccc1N- InChIKey
YMQOKTHPONOAKK-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- Hexyl anthranilate
- IUPAC
- hexyl 2-aminobenzoate
- English name
- hexyl anthranilate
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.3
Names & synonyms
n-Hexyl anthranilateHexyl anthranilate18189-05-4Anthranilic acid, hexyl esterBenzoic acid, 2-amino-, hexyl estern-Hexyl o-aminobenzoate7JCD6XG3XYEINECS 242-075-4NSC 406529NSC-406529AI3-03468DTXSID4066335
Show more names
Anthanilic acid hexyl ester
RefChem:788288DTXCID1035783Anthranilic acid, hexyl ester (8CI)242-075-4Hexyl 2-aminobenzoateMLS000105034SMR0000549632-aminobenzoic acid hexyl ester
Database identifiers
- CAS
18189-05-4- PubChem CID
- 87500
- DTXSID
DTXSID4066335- ChEMBL
CHEMBL1518766- UNII
- 7JCD6XG3XY
- EC Number
- 242-075-4
- Nikkaji
- J110.733J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- color
- Colorless or pale straw-colored, slightly oily liquid.
- Odor
- Sweet, but very weak, fruity-floral odor
- LogP
- 4.726 · 4.726 (est)
- FDA UNII
- 7 JCD6XG3XY · 7JCD6XG3XY
- EPA Substance Registry System
- 2 · Benzoic acid, 2-amino-, hexyl ester (18189-05-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-amino-, hexyl ester: INACTIVE
Applications
UsesApart from being a fair fixative, its odor contribution to a fragrance composition, is neither powerful nor interesting.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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