Basic information
- CAS
30100-15-3- Standard SMILES
CCCCCOC(=O)c1ccccc1N- InChIKey
JCKCYPSMCQDSHT-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Pentyl anthranilate
- IUPAC
- pentyl 2-aminobenzoate
- English name
- pentyl anthranilate
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
Pentyl anthranilatePentyl 2-aminobenzoate30100-15-3Benzoic acid, 2-amino-, pentyl esterAMYL ANTHRANILATEJFQ1HHK2ENNSC-309826anthranilic acid n-pentyl esterEINECS 250-049-9Benzoic acid, 2-amino-,pentyl esterUNII-JFQ1HHK2ENAI3-36706
Show more names
AmylanthranilateAnthranilic acid amyl2-Aminobenzoic acid amyl ester2-Aminobenzoic acid pentyl ester
Pentyl 2-aminobenzoate #SCHEMBL3102580SCHEMBL10520283DTXSID70184189ANTHRANILIC ACID AMYL ESTERNSC309826AKOS010556259NSC 309826
Database identifiers
- CAS
30100-15-3- PubChem CID
- 100495
- DTXSID
DTXSID70184189- UNII
- JFQ1HHK2EN
- EC Number
- 250-049-9
- Nikkaji
- J47.212C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Boiling point
- 312.9 · 312.9±15.0 °C(Predicted)
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- pka
- 2.21 · 2.21±0.10(Predicted)
- Odor
- 100 % · at 100.00 %. weak butyl ester amyl salicylate
- Odor Type
- floral
- LogP
- 4.217 · 4.217 (est)
- FDA UNII
- 1 HHK2EN · JFQ1HHK2EN
Chemistry & industry
Applications
UsesUsed, but rarely, in perfumes as a modifier for lower alifatic Anthranilates. Pentyl anthranilate presents heavier effects, more tenacious, but less perceptible. occasionally used in flavors, for similar reasons as above, yet it seems to fortify the flavor power of the lower homologies.
Preparation methods
PreparationAmyl anthranilate is prepared by direct esterification of iso-Amyl alcohol with Anthranilic acid under azeotropic conditions - or: from lsatoic anhydride plus Aluminium pentoxide (amyloxide).
Upstream & downstream products
Upstream raw materials
Suppliers4 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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