1.0 2010-04-08 22:06:31 UTC 2025-11-18 22:58:12 UTC FDB005083 3-Methylbut-1-ene 3-methylbut-1-ene, also known as alpha-isoamylene or (ch3)2chch=ch2, is a member of the class of compounds known as unsaturated aliphatic hydrocarbons. Unsaturated aliphatic hydrocarbons are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. 3-methylbut-1-ene can be found in sweet orange, which makes 3-methylbut-1-ene a potential biomarker for the consumption of this food product. 3-methylbut-1-ene is a non-carcinogenic (not listed by IARC) potentially toxic compound. Treatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration (A600) (T3DB). C5H10 70.1329 70.07825032 3-methylbut-1-ene 3-methyl-1-butene 563-45-1 CC(C)C=C InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3 YHQXBTXEYZIYOV-UHFFFAOYSA-N belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. Unsaturated aliphatic hydrocarbons Organic compounds Hydrocarbons Unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons Aliphatic acyclic compounds Alkenes Acyclic olefin Aliphatic acyclic compound Alkene Olefin Unsaturated aliphatic hydrocarbon alkene logp 2.30 ALOGPS logs -2.43 ALOGPS solubility 2.62e-01 g/l ALOGPS logp 2.23 ChemAxon iupac 3-methylbut-1-ene ChemAxon average_mass 70.1329 ChemAxon mono_mass 70.07825032 ChemAxon smiles CC(C)C=C ChemAxon formula C5H10 ChemAxon inchi InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3 ChemAxon inchikey YHQXBTXEYZIYOV-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 24.8 ChemAxon polarizability 9.32 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 267 Specdb::CMs 115296 Specdb::CMs 129612 Specdb::MsMs 61575 Specdb::MsMs 61576 Specdb::MsMs 61577 Specdb::MsMs 118131 Specdb::MsMs 118132 Specdb::MsMs 118133 Specdb::MsMs 3403429 Specdb::MsMs 3403430 Specdb::MsMs 3403431 Specdb::MsMs 3403432 Specdb::MsMs 3403433 Specdb::MsMs 3403434 Sweet orange Type 1 specific Citrus sinensis 2711