1.0 2010-04-08 22:04:44 UTC 2019-11-26 02:55:34 UTC FDB000872 4-Methoxybenzaldehyde Found in anise oil, fennel and vanilla. Flavouring ingredient Anisaldehyde, or anisic aldehyde, is an organic compound that consists of a benzene ring substituted with an aldehyde and a methoxy group. It is a clear colorless liquid with a strong aroma. It comes in 3 varieties, ortho, meta, and para in which the two functional groups (methoxy and aldehyde) are alpha, beta, and gamma, respectively to each other. The unmodified term anisaldehyde generally refers to the para isomer. Anisaldehyde is found in anise, from which it gets its name. It is similar in structure to vanillin. 4-Anisaldehyde Anisal Anisaldehyde Anisic aldehyde Aubepine Benzaldehyde, 4-methoxy- Crategine FEMA 2670 Formylanisole, p- Obepin p-Anisaldehyde, 8CI p-Anisic aldehyde p-Formylanisole p-Methoxybenzaldehyde para-Anisaldehyde C8H8O2 136.1479 136.0524295 4-methoxybenzaldehyde anisaldehyde 123-11-5 COC1=CC=C(C=O)C=C1 InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3 ZRSNZINYAWTAHE-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). Benzoyl derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoyl derivatives Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Benzaldehydes Hydrocarbon derivatives Methoxybenzenes Organic oxides Phenoxy compounds Aldehyde Alkyl aryl ether Anisole Aromatic homomonocyclic compound Aryl-aldehyde Benzaldehyde Benzoyl Ether Hydrocarbon derivative Methoxybenzene Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound aldehyde Liquid logp 1.64 ALOGPS logs -1.90 ALOGPS solubility 1.71e+00 g/l ALOGPS melting_point Mp 0° logp 1.53 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 4-methoxybenzaldehyde ChemAxon average_mass 136.1479 ChemAxon mono_mass 136.0524295 ChemAxon smiles COC1=CC=C(C=O)C=C1 ChemAxon formula C8H8O2 ChemAxon inchi InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3 ChemAxon inchikey ZRSNZINYAWTAHE-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 39.11 ChemAxon polarizability 14 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1859 Specdb::MsIr 3591 Specdb::MsIr 3592 Specdb::CMs 5755 Specdb::CMs 26861 Specdb::CMs 27150 Specdb::CMs 27697 Specdb::CMs 29245 Specdb::CMs 29296 Specdb::CMs 100406 Specdb::CMs 100407 Specdb::CMs 100408 Specdb::CMs 100409 Specdb::CMs 100410 Specdb::CMs 169178 Specdb::NmrOneD 3820 Specdb::NmrOneD 4085 Specdb::NmrOneD 110018 Specdb::NmrOneD 110019 Specdb::NmrOneD 110020 Specdb::NmrOneD 110021 Specdb::NmrOneD 110022 Specdb::NmrOneD 110023 Specdb::NmrOneD 110024 Specdb::NmrOneD 110025 Specdb::NmrOneD 110026 Specdb::NmrOneD 110027 Specdb::NmrOneD 110028 Specdb::NmrOneD 110029 Specdb::NmrOneD 110030 Specdb::NmrOneD 110031 Specdb::NmrOneD 110032 Specdb::NmrOneD 110033 Specdb::NmrOneD 110034 Specdb::NmrOneD 110035 Specdb::NmrOneD 110036 Specdb::NmrOneD 110037 Specdb::MsMs 64857 Specdb::MsMs 64858 Specdb::MsMs 64859 Specdb::MsMs 122133 Specdb::MsMs 122134 Specdb::MsMs 122135 Specdb::MsMs 2256726 Specdb::MsMs 2258764 Specdb::MsMs 2259820 Specdb::MsMs 2745299 Specdb::MsMs 2745300 Specdb::MsMs 2745301 Specdb::MsMs 2936251 Specdb::MsMs 2936252 Specdb::MsMs 2936253 HMDB29686 #<Reference:0x000055ce31f16e90> American cranberry Type 1 specific Vaccinium macrocarpon 13750 Anise Type 1 specific Pimpinella anisum 271192 Black tea Type 1 Cornmint Type 1 specific Mentha arvensis 292239 Cumin Type 1 specific Cuminum cyminum 52462 83.7 83.7 83.7 mg/100 g Dill Type 1 specific Anethum graveolens 40922 Fennel Type 1 specific Foeniculum vulgare 48038 27.289286 54.05 0.528571439 mg/100 g Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Pine nut Type 1 specific Pinus 3337 Red tea Type 1 Roselle Type 1 specific Hibiscus sabdariffa 183260 Star anise Type 1 specific Illicium verum 124778 52.0 52.0 52.0 mg/100 g Sweet basil Type 1 specific Ocimum basilicum 39350 Tarragon Type 1 specific Artemisia dracunculus 72341 Tea Type 1 specific Camellia sinensis 4442 Vanilla Type 1 specific Vanilla 51238 almond anise balsam berry bitter cherry chocolate cinnamon creamy floral hawthorn hawthorne mimosa mint minty powdery sweet vanilla Anti-mutagenic 451 Cosmetic 838 The role played by a substance in enhancing the appearance or odour of the human body; a name given to the substance itself or to a component of it. Fungicide 940 A substance used to destroy fungal pests. Insecticide 1040 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. Irritant 1055 Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Nematicide 1141 A substance used to destroy pests of the phylum Nematoda (roundworms). Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Piscicide 1228 Sedative 1311 A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. Tyrosinase inhibitor 1389 Any EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of tyrosinase (monophenol monooxygenase), EC 1.14.18.1, an enzyme that catalyses the oxidation of phenols (such as tyrosine) and is widespread in plants and animals.