1.0 2010-04-08 22:05:55 UTC 2019-11-26 02:59:30 UTC FDB003693 Salicylates Salicylates, also known as 2-hydroxybenzoic acid or sal, is a member of the class of compounds known as salicylic acids. Salicylic acids are ortho-hydroxylated benzoic acids. Salicylates is soluble (in water) and a moderately acidic compound (based on its pKa). Salicylates can be found in a number of food items such as arabica coffee, apple, common thyme, and rosemary, which makes salicylates a potential biomarker for the consumption of these food products. Salicylic acid (from Latin salix, willow tree) is a lipophilic monohydroxybenzoic acid, a type of phenolic acid, and a beta hydroxy acid (BHA). It has the formula C7H6O3. This colorless crystalline organic acid is widely used in organic synthesis and functions as a plant hormone. It is derived from the metabolism of salicin. In addition to serving as an important active metabolite of aspirin (acetylsalicylic acid), which acts in part as a prodrug to salicylic acid, it is probably best known for its use as a key ingredient in topical anti-acne products. The salts and esters of salicylic acid are known as salicylates . C7H5O3 137.115 137.024417601 2-carboxybenzen-1-olate 2-carboxybenzenolate 63-36-5 OC(=O)C1=CC=CC=C1[O-] InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1 YGSDEFSMJLZEOE-UHFFFAOYSA-M belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids. Salicylic acids Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoic acids Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic anions Organic oxides Organooxygen compounds Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic anion Organic oxide Organic oxygen compound Organooxygen compound Phenol Salicylic acid Vinylogous acid an aromatic carboxylate monohydroxybenzoate logp 1.09 ALOGPS logs -0.74 ALOGPS solubility 2.82e+01 g/l ALOGPS logp 1.98 ChemAxon pka_strongest_acidic 2.79 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 2-carboxybenzen-1-olate ChemAxon average_mass 137.115 ChemAxon mono_mass 137.024417601 ChemAxon smiles OC(=O)C1=CC=CC=C1[O-] ChemAxon formula C7H5O3 ChemAxon inchi InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1 ChemAxon inchikey YGSDEFSMJLZEOE-UHFFFAOYSA-M ChemAxon polar_surface_area 60.36 ChemAxon refractivity 45.85 ChemAxon polarizability 12.47 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge -1 ChemAxon Specdb::MsMs 99900 Specdb::MsMs 99901 Specdb::MsMs 99902 Specdb::MsMs 165123 Specdb::MsMs 165124 Specdb::MsMs 165125 Allspice Type 1 specific Pimenta dioica 375272 Almond Type 1 specific Prunus dulcis 3755 Anise Type 1 specific Pimpinella anisum 271192 Apple Type 1 specific Malus pumila 283210 Apricot Type 1 specific Prunus armeniaca 36596 Arabica coffee Type 1 specific Coffea arabica 13443 Arrowroot Type 1 specific Maranta arundinacea 210060 Avocado Type 1 specific Persea americana 3435 Barley Type 1 specific Hordeum vulgare 4513 Black tea Type 1 Black-eyed pea Type 1 specific Vigna unguiculata ssp. unguiculata 3920 Blackcurrant Type 1 specific Ribes nigrum 78511 Brazil nut Type 1 specific Bertholletia excelsa 3645 Broad bean Type 1 specific Vicia faba 3906 Broccoli Type 1 specific Brassica oleracea var. italica 36774 Brussel sprouts Type 1 specific Brassica oleracea var. gemmifera 178616 Cabbage Type 1 specific Brassica oleracea var. capitata 3716 Caraway Type 1 specific Carum carvi 48032 Cardamom Type 1 specific Elettaria cardamomum 105181 Carob Type 1 specific Ceratonia siliqua 20340 Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 Chickpea Type 1 specific Cicer arietinum 3827 Chicory Type 1 specific Cichorium intybus 13427 Chives Type 1 specific Allium schoenoprasum 74900 Cloves Type 1 specific Syzygium aromaticum 219868 Cocoa bean Type 1 specific Theobroma cacao 3641 Coconut Type 1 specific Cocos nucifera 13894 Colorado pinyon Type 1 specific Pinus edulis 3340 0.55 0.55 0.55 mg/100 g Common bean Type 1 specific Phaseolus vulgaris 3885 Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common grape Type 1 specific Vitis vinifera 29760 Common hazelnut Type 1 specific Corylus avellana 13451 Common thyme Type 1 specific Thymus vulgaris 49992 100.5 100.5 100.5 mg/100 g Common walnut Type 1 specific Juglans regia 51240 0.3 0.3 0.3 mg/100 g Corn Type 1 specific Zea mays 4577 Cumin Type 1 specific Cuminum cyminum 52462 Date Type 1 specific Phoenix dactylifera 42345 Dill Type 1 specific Anethum graveolens 40922 European plum Type 1 specific Prunus domestica 3758 Fennel Type 1 specific Foeniculum vulgare 48038 Fenugreek Type 1 specific Trigonella foenum-graecum 78534 Fig Type 1 specific Ficus carica 3494 French plantain Type 1 specific Musa X paradisiaca 89151 Garden onion Type 1 specific Allium cepa 4679 German camomile Type 1 specific Matricaria recutita 127986 Ginger Type 1 specific Zingiber officinale 94328 Green bell pepper Type 1 specific Capsicum annuum 4072 Green tea Type 1 Guava Type 1 specific Psidium guajava 120290 Herbal tea Type 1 Horseradish Type 1 specific Armoracia rusticana 3704 Lemon Type 1 specific Citrus limon 2708 0.0 0.0 0.0 mg/100 g Lentils Type 1 generic Lens culinaris 3864 Loquat Type 1 specific Eriobotrya japonica 32224 Macadamia nut Type 1 specific Macadamia 4329 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 2.75 2.75 2.75 mg/100 g Mung bean Type 1 specific Vigna radiata 157791 Muskmelon Type 1 specific Cucumis melo 3656 Nutmeg Type 1 specific Myristica fragrans 51089 Oat Type 1 specific Avena sativa 4498 Okra Type 1 specific Abelmoschus esculentus 455045 Olive Type 1 specific Olea europaea 4146 Opium poppy Type 1 specific Papaver somniferum 3469 Orange bell pepper Type 1 specific Capsicum annuum 4072 Papaya Type 1 specific Carica papaya 3649 Parsley Type 1 specific Petroselinum crispum 4043 Pepper Type 1 specific Capsicum annuum 4072 Pepper (C. frutescens) Type 1 specific Capsicum annuum var. annuum 40321 Pepper (Spice) Type 1 specific Piper nigrum 13216 Peppermint Type 1 specific Mentha X piperita 34256 70.0 70.0 70.0 mg/100 g Pineapple Type 1 specific Ananas comosus 4615 Pomegranate Type 1 specific Punica granatum 22663 0.21 0.21 0.21 mg/100 g Potato Type 1 specific Solanum tuberosum 4113 Red beetroot Type 1 specific Beta vulgaris var. rubra Red bell pepper Type 1 specific Capsicum annuum 4072 Red tea Type 1 Rosemary Type 1 specific Rosmarinus officinalis 39367 37.5 37.5 37.5 mg/100 g Saffron Type 1 specific Crocus sativus 82528 Sesame Type 1 specific Sesamum orientale 4182 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 Soy bean Type 1 specific Glycine max 3847 Spinach Type 1 specific Spinacia oleracea 3562 Sunflower Type 1 specific Helianthus annuus 4232 Sweet bay Type 1 specific Laurus nobilis 85223 Sweet orange Type 1 specific Citrus sinensis 2711 Tarragon Type 1 specific Artemisia dracunculus 72341 Tea Type 1 specific Camellia sinensis 4442 Turmeric Type 1 specific Curcuma longa 136217 76.5 76.5 76.5 mg/100 g Watercress Type 1 specific Rorippa nasturtium-aquaticum 135518 White cabbage Type 1 specific Brassica oleracea L. var. capitata L. f. alba DC. Wild celery Type 1 specific Apium graveolens 4045 Yellow bell pepper Type 1 specific Capsicum annuum 4072 anti aggregant 94 anti inflammatory 370 A substance that reduces or suppresses inflammation. anti pyretic 567 A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever. anti uricosuric 681 hyperglycemic 1005 A drug which increases the blood glucose level. hypoglycemic 1017 A drug which lowers the blood glucose level. uricosuric 1396