1.0 2010-04-08 22:07:24 UTC 2025-11-18 23:03:24 UTC FDB007018 2-Methylheptane 2-methylheptane is a member of the class of compounds known as branched alkanes. Branched alkanes are acyclic branched hydrocarbons having the general formula CnH2n+2. Thus, 2-methylheptane is considered to be a hydrocarbon lipid molecule. 2-methylheptane can be found in black elderberry, which makes 2-methylheptane a potential biomarker for the consumption of this food product. 2-methylheptane can be found primarily in saliva. 2-methylheptane is a non-carcinogenic (not listed by IARC) potentially toxic compound. 2-methylheptane is a branched alkane isomeric to octane. Its structural formula is (CH3)2CH(CH2)4CH3 . 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). Dimethylhexane Heptane, 2-methyl- Hexane, dimethyl- Isooctane C8H18 114.2285 114.140850576 2-methylheptane 2-methylheptane 540-84-1 CCCCCC(C)C InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3 JVSWJIKNEAIKJW-UHFFFAOYSA-N belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2. Branched alkanes Organic compounds Hydrocarbons Saturated hydrocarbons Alkanes Aliphatic acyclic compounds Aliphatic acyclic compound Branched alkane Hydrocarbons a steroid liquid logp 4.71 ALOGPS logs -4.39 ALOGPS solubility 4.64e-03 g/l ALOGPS melting_point -108.9 oC logp 3.86 ChemAxon iupac 2-methylheptane ChemAxon average_mass 114.2285 ChemAxon mono_mass 114.140850576 ChemAxon smiles CCCCCC(C)C ChemAxon formula C8H18 ChemAxon inchi InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3 ChemAxon inchikey JVSWJIKNEAIKJW-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 38.56 ChemAxon polarizability 16.18 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 2521 Specdb::NmrOneD 3221 Specdb::CMs 27164 Specdb::CMs 29952 Specdb::CMs 34276 Specdb::CMs 102498 Specdb::CMs 102499 Specdb::CMs 173820 Specdb::EiMs 781 Specdb::MsMs 94782 Specdb::MsMs 94783 Specdb::MsMs 94784 Specdb::MsMs 158889 Specdb::MsMs 158890 Specdb::MsMs 158891 Specdb::MsMs 2453695 Specdb::MsMs 2453696 Specdb::MsMs 2453697 Specdb::MsMs 2484870 Specdb::MsMs 2484871 Specdb::MsMs 2484872 HMDB0061915 Black elderberry Type 1 specific Sambucus nigra 4202