| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:11 UTC |
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| Update date | 2017-01-19 02:36:40 UTC |
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| FoodComEx ID | PC000875 |
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| FoodDB Record | FDB023574 |
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| Chemical Information |
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| Name | Benzocaine |
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| Description | A surface anesthetic that acts by preventing transmission of impulses along nerve fibers and at nerve endings.; Benzocaine is a local anesthetic commonly used as a topical pain reliever. It is the active ingredient in many over-the-counter analgesic ointments. Benzocaine is an ester, a compound made from the organic acid PABA (para-aminobenzoic acid) and ethanol. The process in which this ester is created is known as Fischer esterification. [HMDB] |
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| CAS Number | 94-09-7 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (p-(Ethoxycarbonyl)phenylamine | hmdb | | 4-(Ethoxycarbonyl)aniline | hmdb | | 4-(Ethoxycarbonyl)phenylamine | hmdb | | 4-Aminobenzoate ethyl ester | Generator | | 4-Aminobenzoic acid | HMDB | | 4-Aminobenzoic acid ethyl ester | hmdb | | 4-Carbethoxyaniline | hmdb | | Aethoform | hmdb | | Amben ethyl ester | hmdb | | Americaine | hmdb | | Anaesthan-syngala | hmdb | | Anaesthesin | hmdb | | Anaesthin | hmdb | | Anestezin | hmdb | | Anesthesin | hmdb | | Anesthesine | hmdb | | Anesthone | hmdb | | Baby Anbesol | hmdb | | Benzoak | hmdb | | Benzocaina | ChEBI | | Benzocaine | hmdb | | Benzocainum | ChEBI | | Dermoplast | hmdb | | Diet Ayds | hmdb | | Ethoform | hmdb | | ethyl 4-aminobenzoate | hmdb | | ethyl 4-aminobenzoic acid | hmdb | | Ethyl aminobenzoate | hmdb | | Ethyl aminobenzoic acid | hmdb | | Ethyl p-aminobenzenecarboxylate | hmdb | | Ethyl p-aminobenzoate | hmdb | | Ethyl p-aminobenzoic acid | hmdb | | Ethyl p-aminophenylcarboxylate | hmdb | | Ethyl P-aminophenylcarboxylic acid | Generator | | Ethylester kyseliny p-aminobenzoove | hmdb | | Hurricaine | hmdb | | Identhesin | hmdb | | Norcain | hmdb | | Norcaine | hmdb | | Ora-jel | hmdb | | Orabase-B | hmdb | | Orthesin | hmdb | | p-(Ethoxycarbonyl)aniline | hmdb | | p-Aminobenzoic acid ethyl ester | hmdb | | p-Carbethoxyaniline | hmdb | | p-Ethoxycarboxylic aniline | hmdb | | Parathesin | hmdb | | Parathesine | hmdb | | Slim Mint Gum | hmdb | | Solarcaine | hmdb | | Solu H | hmdb | | Topcaine | hmdb |
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| Chemical Formula | C9H11NO2 |
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| IUPAC name | ethyl 4-aminobenzoate |
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| InChI Identifier | InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 |
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| InChI Key | BLFLLBZGZJTVJG-UHFFFAOYSA-N |
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| Isomeric SMILES | CCOC(=O)C1=CC=C(N)C=C1 |
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| Average Molecular Weight | 165.1891 |
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| Monoisotopic Molecular Weight | 165.078978601 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Benzoic acids and derivatives |
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| Direct Parent | Benzoic acid esters |
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| Alternative Parents | |
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| Substituents | - Aminobenzoic acid or derivatives
- Benzoate ester
- Benzoyl
- Aniline or substituted anilines
- Amino acid or derivatives
- Carboxylic acid ester
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Amine
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 2 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | J91144 |
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| AKSci | M024 |
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| Glentham | GP2011 |
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| MetaSci | HMDB0004992 |
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| Sigma-Aldrich | HMDB0004992 |
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| Toronto Research Chemicals | B202970 |
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