1.0 2016-05-19 02:03:24 UTC 2026-08-17 23:42:33 UTC ESTRAGOLE SmallMolecule Estragole is an organic compound with the chemical formula C10H12O and an average molecular weight of 148.20 g/mol. ESTRAGOLE belongs to the anisoles, a subclass of phenol ethers within the organic compounds. In industrial applications, it is utilized as a fragrance, as well as a flavouring and nutrient. The compound is found in or released from 31 recorded sources across multiple sectors. Within the energy, oil and gas sector, it is used in lubricants, while the healthcare, pharmaceuticals and veterinary products sector utilizes it in medical devices. In textiles, leather and furnishings, it is associated with carpets, rugs, and synthetic textiles. It is present in food, food processing and cookware through food contact materials, food packaging, food preservation, and the preparation of vinegar. Household cleaning and consumer products include bleaching agents, perfumes within detergents and soaps, pipe accessories, cigar cigarettes, other smoking requisites, and three additional sources. Electrical and electronic equipment sources include batteries, capacitors, printed circuit boards, cell phones, wires and cables, and seven others. Additionally, it is found in three other sectors. Regarding plastics, estragole is present in polyethylene terephthalate and is released in polypropylene and low-density polyethylene. Recorded exposure routes for the compound include oral, inhalation, and touch. PFAS Phytotoxin 1-Methoxy-4-(2-propenyl)benzene 1-methoxy-4-(prop-2-en-1-yl)benzene Benzene, 1-methoxy-4-(2-propenyl)- C10H12O 148.2017 148.088815006 1-methoxy-4-(prop-2-en-1-yl)benzene tarragon 140-67-0 COC1=CC=C(CC=C)C=C1 InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 ZFMSMUAANRJZFM-UHFFFAOYSA-N Organic compounds Benzenoids Phenol ethers Anisoles Anisoles Alkyl aryl ethers Hydrocarbon derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenoxy compound Aromatic homomonocyclic compounds Monolignols an aromatic compound olefinic compound Detected and Not Quantified logp 3.4 logp 3.23 ALOGPS logs -3.30 ALOGPS solubility 7.50e-02 g/l ALOGPS logp 2.91 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 1-methoxy-4-(prop-2-en-1-yl)benzene ChemAxon average_mass 148.2017 ChemAxon mono_mass 148.088815006 ChemAxon smiles COC1=CC=C(CC=C)C=C1 ChemAxon formula C10H12O ChemAxon inchi InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 ChemAxon inchikey ZFMSMUAANRJZFM-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 46.81 ChemAxon polarizability 16.95 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3e158c0> 8815 13850247